4-[2-(3-methylbutylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-(3-methylbutylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-(isopentylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-(3-methylbutylamino)-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-(3-methylbutylamino)pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-(isoamylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C19H25N5O MolecularWeight: 339.4347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=CC(=N1)N2CCNC(=O)C2C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC1=NC=CC(=N1)N2CCNC(=O)C2C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O/c1-14(2)8-10-21-19-22-11-9-16(23-19)24-13-12-20-18(25)17(24)15-6-4-3-5-7-15/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3,(H,20,25)(H,21,22,23)