N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-benzylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzylpiperazino)-2-keto-acetamide Formula: C27H31N7O3 MolecularWeight: 501.58014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N7O3/c1-20(35)28-12-13-29-23-18-24(31-25(30-23)22-10-6-3-7-11-22)32-26(36)27(37)34-16-14-33(15-17-34)19-21-8-4-2-5-9-21/h2-11,18H,12-17,19H2,1H3,(H,28,35)(H2,29,30,31,32,36)