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

Systemtic Name: ethyl 4-cyano-5-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N6O5S MolecularWeight: 430.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C#N)C

InChI

InChI=1S/C18H18N6O5S/c1-5-29-17(27)13-9(2)10(6-19)15(30-13)21-11(25)7-24-8-20-14-12(24)16(26)23(4)18(28)22(14)3/h8H,5,7H2,1-4H3,(H,21,25)