2-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide Formula: C17H27N7O3 MolecularWeight: 377.44138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H27N7O3/c1-12(2)19-15(25)11-22-6-3-7-23(9-8-22)17-18-10-14(24(26)27)16(21-17)20-13-4-5-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,25)(H,18,20,21)