4-(4-phenylpiperazin-1-yl)-2,6-bis(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-phenylpiperazin-1-yl)-2,6-bis(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-phenylpiperazin-1-yl)-2,6-bis(2-pyridylmethylamino)pyrimidine-5-carbonitrile CAS Name: 4-(4-phenyl-1-piperazinyl)-2,6-bis(2-pyridinylmethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-phenylpiperazin-1-yl)-2,6-bis(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-phenylpiperazino)-2,6-bis(2-pyridylmethylamino)pyrimidine-5-carbonitrile Formula: C27H27N9 MolecularWeight: 477.56358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=N4)NCC5=CC=CC=N5)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=CC=N4)NCC5=CC=CC=N5)C#N

InChI

InChI=1S/C27H27N9/c28-18-24-25(31-19-21-8-4-6-12-29-21)33-27(32-20-22-9-5-7-13-30-22)34-26(24)36-16-14-35(15-17-36)23-10-2-1-3-11-23/h1-13H,14-17,19-20H2,(H2,31,32,33,34)