2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-6-(5-thiophen-2-ylpyridin-3-yl)pyrimidine

Systemtic Name: 2-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-6-(5-thiophen-2-ylpyridin-3-yl)pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-phenyl-6-[5-(2-thienyl)-3-pyridyl]pyrimidine CAS Name: 2-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-phenyl-6-(5-thiophen-2-ylpyridin-3-yl)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-2-phenyl-6-[5-(2-thienyl)-3-pyridyl]pyrimidine Formula: C30H27N5S MolecularWeight: 489.63388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC(=CN=C4)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC(=CN=C4)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C30H27N5S/c1-3-8-23(9-4-1)22-34-13-15-35(16-14-34)29-19-27(32-30(33-29)24-10-5-2-6-11-24)25-18-26(21-31-20-25)28-12-7-17-36-28/h1-12,17-21H,13-16,22H2