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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetamide Formula: C26H36N8O3 MolecularWeight: 508.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H36N8O3/c1-20(35)27-9-10-28-22-17-23(31-26(30-22)21-7-3-2-4-8-21)29-24(36)18-32-13-15-33(16-14-32)19-25(37)34-11-5-6-12-34/h2-4,7-8,17H,5-6,9-16,18-19H2,1H3,(H,27,35)(H2,28,29,30,31,36)