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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-phenethyl-1,4-diazepan-1-yl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenethyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethyl-1,4-diazepan-1-yl)acetamide Formula: C29H37N7O2 MolecularWeight: 515.64978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H37N7O2/c1-23(37)30-14-15-31-26-21-27(34-29(33-26)25-11-6-3-7-12-25)32-28(38)22-36-17-8-16-35(19-20-36)18-13-24-9-4-2-5-10-24/h2-7,9-12,21H,8,13-20,22H2,1H3,(H,30,37)(H2,31,32,33,34,38)