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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-benzylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzylpiperazino)acetamide Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N7O2/c1-21(35)28-12-13-29-24-18-25(32-27(31-24)23-10-6-3-7-11-23)30-26(36)20-34-16-14-33(15-17-34)19-22-8-4-2-5-9-22/h2-11,18H,12-17,19-20H2,1H3,(H,28,35)(H2,29,30,31,32,36)