4-(4-cyano-4-phenyl-piperidin-1-yl)-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-cyano-4-phenyl-piperidin-1-yl)-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-cyano-4-phenyl-1-piperidyl)-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 4-(4-cyano-4-phenyl-1-piperidinyl)-2,6-bis(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-cyano-4-phenylpiperidin-1-yl)-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-cyano-4-phenyl-piperidino)-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C21H25N7O2/c22-14-17-18(24-8-12-29)26-20(25-9-13-30)27-19(17)28-10-6-21(15-23,7-11-28)16-4-2-1-3-5-16/h1-5,29-30H,6-13H2,(H2,24,25,26,27)