4-chloranyl-2-(2-hydroxyethylamino)-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-(2-hydroxyethylamino)-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-(2-hydroxyethylamino)-6-(4-phenyl-1-piperidyl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(2-hydroxyethylamino)-6-(4-phenyl-1-piperidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-(2-hydroxyethylamino)-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-chloro-2-(2-hydroxyethylamino)-6-(4-phenylpiperidino)pyrimidine-5-carbonitrile Formula: C18H20ClN5O MolecularWeight: 357.8373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)Cl)C#N

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=C(C(=NC(=N3)NCCO)Cl)C#N

InChI

InChI=1S/C18H20ClN5O/c19-16-15(12-20)17(23-18(22-16)21-8-11-25)24-9-6-14(7-10-24)13-4-2-1-3-5-13/h1-5,14,25H,6-11H2,(H,21,22,23)