ethyl 2-methyl-5-[1-methyl-2,4-bis(oxidanylidene)-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-oxidanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[1-methyl-2,4-bis(oxidanylidene)-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-oxidanyl-thiophene-3-carboxylate Openeye Name: ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate CAS Name: 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate Traditional Name: 5-(2,4-diketo-1-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1O)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1O)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O5S/c1-4-29-20(27)12-10(2)30-17(16(12)25)13-14-18(24(3)21(28)23-19(14)26)22-15(13)11-8-6-5-7-9-11/h5-9,22,25H,4H2,1-3H3,(H,23,26,28)