N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(3,5-dimethoxyphenyl)-1-piperazinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3,5-dimethoxyphenyl)piperazino]-2-keto-acetamide Formula: C28H33N7O5 MolecularWeight: 547.60552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N7O5/c1-19(36)29-9-10-30-24-18-25(32-26(31-24)20-7-5-4-6-8-20)33-27(37)28(38)35-13-11-34(12-14-35)21-15-22(39-2)17-23(16-21)40-3/h4-8,15-18H,9-14H2,1-3H3,(H,29,36)(H2,30,31,32,33,37)