methyl 3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazino]methyl]benzoic acid methyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c1-31-25(30)20-9-5-6-18(14-20)15-28-10-12-29(13-11-28)23-22-21(19-7-3-2-4-8-19)16-32-24(22)27-17-26-23/h2-9,14,16-17H,10-13,15H2,1H3