ethyl 2-[[7-cyano-5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[7-cyano-5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[7-cyano-5-(4-methoxyphenyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[7-cyano-5-(4-methoxyphenyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-cyano-5-(4-methoxyphenyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[7-cyano-4-keto-5-(4-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)C(=CN2C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)C(=CN2C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C18H16N4O4S/c1-3-26-14(23)10-27-18-20-15-11(8-19)9-22(16(15)17(24)21-18)12-4-6-13(25-2)7-5-12/h4-7,9H,3,10H2,1-2H3,(H,20,21,24)