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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-oxo-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-keto-2-(4-phenylpiperazino)acetamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O3/c1-19(34)27-12-13-28-22-18-23(30-24(29-22)20-8-4-2-5-9-20)31-25(35)26(36)33-16-14-32(15-17-33)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H,27,34)(H2,28,29,30,31,35)