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

Systemtic Name: ethyl 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O3S/c1-3-35-28(34)25-19(2)23-26(33)29-22(30-27(23)36-25)18-31-14-16-32(17-15-31)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,24H,3,14-18H2,1-2H3,(H,29,30,33)