ethyl 3-[6-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-5-yl]propanoate

Systemtic Name: ethyl 3-[6-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[2-(4-benzylpiperazin-1-yl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-benzylpiperazin-1-yl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[2-(4-benzylpiperazino)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-28-19(26)10-9-18-16(2)22-21(23-20(18)27)25-13-11-24(12-14-25)15-17-7-5-4-6-8-17/h4-8H,3,9-15H2,1-2H3,(H,22,23,27)