N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C27H34N8O2 MolecularWeight: 502.61126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N8O2/c1-21(36)29-11-12-30-24-17-25(33-27(32-24)23-8-3-2-4-9-23)31-26(37)20-35-14-6-13-34(15-16-35)19-22-7-5-10-28-18-22/h2-5,7-10,17-18H,6,11-16,19-20H2,1H3,(H,29,36)(H2,30,31,32,33,37)