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(1R,12bS)-1-Phenyl-3-(N-methylthiocarbamoyl)-1,2,6,7,12,12bS-hexahydropyrimido[1',6' : 1,2]pyrido[3,4-b]indole
SpectraBase Compound ID FWtjZT9R8zx
InChI InChI=1S/C22H24N4S/c1-23-22(27)26-13-18(15-7-3-2-4-8-15)21-20-17(11-12-25(21)14-26)16-9-5-6-10-19(16)24-20/h2-10,18,21,24H,11-14H2,1H3,(H,23,27)/t18-,21-/m0/s1
InChIKey RFNYOIBVCFZNIC-RXVVDRJESA-N
Mol Weight 376.52 g/mol
Molecular Formula C22H24N4S
Exact Mass 376.172168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ewxr1kcez2
Name (1R,12bS)-1-Phenyl-3-(N-methylthiocarbamoyl)-1,2,6,7,12,12bS-hexahydropyrimido[1',6' : 1,2]pyrido[3,4-b]indole
Alternate Name(s) (1R,12bS)-1-Phenyl-1,2,6,7,12,12b-hexahydro-pyrimido[1',6':1,2]pyrido[3,4-b]indole-3-carbothioic acid methylamide (1R,12bS)-N-methyl-1-phenyl-1,2,6,7,12,12b-hexahydropyrimido[1',6':1,2]pyrido[3,4-b]indole-3(4H)-carbothioamide 1-Phenyl-3-(N-methylthiocarbamoyl)-octahydropyrimido[1',6' : 1,2]pyrido[3,4-b]indole
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Formula C22H24N4S
InChI InChI=1S/C22H24N4S/c1-23-22(27)26-13-18(15-7-3-2-4-8-15)21-20-17(11-12-25(21)14-26)16-9-5-6-10-19(16)24-20/h2-10,18,21,24H,11-14H2,1H3,(H,23,27)/t18-,21-/m0/s1
InChIKey RFNYOIBVCFZNIC-RXVVDRJESA-N
Molecular Weight 376.522 g/mol
SMILES N(C(N1CN2[C@](c3c(CC2)c2ccccc2[nH]3)([C@@](C1)(c1ccccc1)[H])[H])=S)C
SPLASH splash10-00di-0910000000-02bb9021c17d0f055607
Source of Spectrum SK-23-1793-5
Wiley ID 865652