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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(4-cyanophenyl)-1-piperazinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-cyanophenyl)piperazino]-2-keto-acetamide Formula: C27H28N8O3 MolecularWeight: 512.56302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N8O3/c1-19(36)29-11-12-30-23-17-24(32-25(31-23)21-5-3-2-4-6-21)33-26(37)27(38)35-15-13-34(14-16-35)22-9-7-20(18-28)8-10-22/h2-10,17H,11-16H2,1H3,(H,29,36)(H2,30,31,32,33,37)