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

Systemtic Name: 4-(benzotriazol-1-yl)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(benzotriazol-1-yl)-5-phenyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1-benzotriazolyl)-5-phenyl-2-(1-piperidinylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(benzotriazol-1-yl)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(benzotriazol-1-yl)-5-phenyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine Formula: C24H22N6S MolecularWeight: 426.53668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCN(CC1)CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C24H22N6S/c1-3-9-17(10-4-1)18-16-31-24-22(18)23(30-20-12-6-5-11-19(20)27-28-30)25-21(26-24)15-29-13-7-2-8-14-29/h1,3-6,9-12,16H,2,7-8,13-15H2