ethyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate

Systemtic Name: ethyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Openeye Name: ethyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(2-amino-4-keto-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC2=C(NC3=C2C(=O)N=C(N3)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC2=C(NC3=C2C(=O)N=C(N3)N)C

InChI

InChI=1S/C16H16N4O3S/c1-3-23-15(22)9-4-6-10(7-5-9)24-12-8(2)18-13-11(12)14(21)20-16(17)19-13/h4-7H,3H2,1-2H3,(H4,17,18,19,20,21)