2-{[3'-(2"-<Benzoylamino>phenylthio)phenylmethyl]amino-4'-oxo-3',4'-dihydroquinazolin-2'-yl}-benzoic Acid - Optional[MS (GC)] - Spectrum

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 Google Search
Mol Weight	598.7 g/mol
Molecular Formula	C35H26N4O4S
Exact Mass	598.167477 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	3az1wafrTMf
Name	2-{[3'-(2"-phenylthio)phenylmethyl]amino-4'-oxo-3',4'-dihydroquinazolin-2'-yl}-benzoic Acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	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
Wiley ID	1568254