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

Systemtic Name: 2,4-bis(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 2,4-bis(2-hydroxyethylamino)-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2-hydroxyethylamino)-6-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C19H25N7O2 MolecularWeight: 383.4475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O2/c20-14-16-17(21-6-12-27)23-19(22-7-13-28)24-18(16)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-5,27-28H,6-13H2,(H2,21,22,23,24)