ethyl 5-azanyl-3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H15ClN6O4S MolecularWeight: 422.8461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H15ClN6O4S/c1-4-27-14(25)10-8(7(5-18)11(19)28-10)6-23-9-12(20-15(23)17)21(2)16(26)22(3)13(9)24/h4,6,19H2,1-3H3