methyl 4-[3-(4-azanyl-2-sulfanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate

Systemtic Name: methyl 4-[3-(4-azanyl-2-sulfanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Openeye Name: methyl 4-[3-(4-amino-2-thioxo-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate CAS Name: 4-[3-(4-amino-2-sulfanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-amino-2-sulfanylidene-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Traditional Name: 4-[3-(4-amino-2-thioxo-1,3-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=CN=C3C2=C(NC(=S)N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=CN=C3C2=C(NC(=S)N3)N

InChI

InChI=1S/C17H18N4O2S/c1-23-16(22)11-7-5-10(6-8-11)3-2-4-12-9-19-15-13(12)14(18)20-17(24)21-15/h5-9H,2-4H2,1H3,(H4,18,19,20,21,24)