N-(4-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-(4-methyl-1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN6O2/c1-21-7-2-8-22(10-9-21)15-14(23(24)25)11-18-16(20-15)19-13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19,20)