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

Systemtic Name: ethyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chloranyl-benzoate Openeye Name: ethyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chloro-benzoate CAS Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoate Traditional Name: 4-[(2-amino-4-keto-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]-2-chloro-benzoic acid ethyl ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3S/c1-3-24-15(23)9-5-4-8(6-10(9)17)25-12-7(2)19-13-11(12)14(22)21-16(18)20-13/h4-6H,3H2,1-2H3,(H4,18,19,20,21,22)