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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Formula: C28H35N7O2 MolecularWeight: 501.6232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N7O2/c1-22(36)29-13-14-30-25-19-26(33-28(32-25)24-11-6-3-7-12-24)31-27(37)21-35-16-8-15-34(17-18-35)20-23-9-4-2-5-10-23/h2-7,9-12,19H,8,13-18,20-21H2,1H3,(H,29,36)(H2,30,31,32,33,37)