methyl 5-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H24N4O3S/c1-14-17-19(26)22-16(23-20(17)29-18(14)21(27)28-2)13-25-10-8-24(9-11-25)12-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3,(H,22,23,26)