N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-keto-2-[4-(4-methoxyphenyl)-3-methyl-piperazino]acetamide Formula: C28H33N7O4 MolecularWeight: 531.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

InChI

InChI=1S/C28H33N7O4/c1-19-18-34(15-16-35(19)22-9-11-23(39-3)12-10-22)28(38)27(37)33-25-17-24(30-14-13-29-20(2)36)31-26(32-25)21-7-5-4-6-8-21/h4-12,17,19H,13-16,18H2,1-3H3,(H,29,36)(H2,30,31,32,33,37)