methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(S1)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4)O)C(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-9-11(19(26)28-3)15(24)16(29-9)12-13-17(23(2)20(27)22-18(13)25)21-14(12)10-7-5-4-6-8-10/h4-8,21,24H,1-3H3,(H,22,25,27)