4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)-2-(3-pyridylmethylamino)pyrimidine-5-carbonitrile CAS Name: 4-(2-hydroxyethylamino)-6-(4-phenyl-1-piperazinyl)-2-(3-pyridinylmethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(2-hydroxyethylamino)-6-(4-phenylpiperazino)-2-(3-pyridylmethylamino)pyrimidine-5-carbonitrile Formula: C23H26N8O MolecularWeight: 430.50554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CN=CC=C4)NCCO)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CN=CC=C4)NCCO)C#N

InChI

InChI=1S/C23H26N8O/c24-15-20-21(26-9-14-32)28-23(27-17-18-5-4-8-25-16-18)29-22(20)31-12-10-30(11-13-31)19-6-2-1-3-7-19/h1-8,16,32H,9-14,17H2,(H2,26,27,28,29)