5-phenyl-2-pyridin-3-yl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-phenyl-2-pyridin-3-yl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-2-(3-pyridyl)-4-[4-(3-pyridylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-phenyl-2-(3-pyridinyl)-4-[4-(3-pyridinylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-phenyl-2-pyridin-3-yl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-2-(3-pyridyl)-4-[4-(3-pyridylmethyl)piperazino]thieno[2,3-d]pyrimidine Formula: C27H24N6S MolecularWeight: 464.58466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=C4C(=CSC4=NC(=N3)C5=CN=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C4C(=CSC4=NC(=N3)C5=CN=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6S/c1-2-7-21(8-3-1)23-19-34-27-24(23)26(30-25(31-27)22-9-5-11-29-17-22)33-14-12-32(13-15-33)18-20-6-4-10-28-16-20/h1-11,16-17,19H,12-15,18H2