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2-{[3'-(2"-<Benzoylamino>phenylthio)phenylmethyl]amino-4'-oxo-3',4'-dihydroquinazolin-2'-yl}-benzoic Acid
SpectraBase Compound ID 52yAaFMWcrN
InChI InChI=1S/C35H26N4O4S/c40-32(23-13-3-1-4-14-23)37-29-21-11-12-22-30(29)44-33(24-15-5-2-6-16-24)38-39-31(25-17-7-8-18-26(25)35(42)43)36-28-20-10-9-19-27(28)34(39)41/h1-22,33,38H,(H,37,40)(H,42,43)
InChIKey NFVUCAJZZCNOKA-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C35H26N4O4S
Exact Mass 598.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3az1wafrTMf
Name 2-{[3'-(2"-phenylthio)phenylmethyl]amino-4'-oxo-3',4'-dihydroquinazolin-2'-yl}-benzoic Acid
Alternate Name(s) 2-[3-[[[(2-benzamidophenyl)thio]-phenylmethyl]amino]-4-oxo-2-quinazolinyl]benzoic acid 2-[3-[[(2-benzamidophenyl)sulfanyl-phenylmethyl]amino]-4-oxoquinazolin-2-yl]benzoic acid 2-[3-[[(2-benzamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxo-quinazolin-2-yl]benzoic acid 2-[3-[[(2-benzamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxidanylidene-quinazolin-2-yl]benzoic acid
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Formula C35H26N4O4S
InChI InChI=1S/C35H26N4O4S/c40-32(23-13-3-1-4-14-23)37-29-21-11-12-22-30(29)44-33(24-15-5-2-6-16-24)38-39-31(25-17-7-8-18-26(25)35(42)43)36-28-20-10-9-19-27(28)34(39)41/h1-22,33,38H,(H,37,40)(H,42,43)
InChIKey NFVUCAJZZCNOKA-UHFFFAOYSA-N
Molecular Weight 598.677 g/mol
SMILES OC(c1c(C=2N(C(c3c(N2)cccc3)=O)NC(Sc2c(NC(=O)c3ccccc3)cccc2)c2ccccc2)cccc1)=O
SPLASH splash10-0aba-5962350000-d482a2929e310b177593
Source of Spectrum AJ-42-1264-11
Wiley ID 1568254