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

Systemtic Name: N-(4-chlorophenyl)-4-(1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-4-(1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-4-(1,4-diazepan-1-yl)-5-nitro-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-4-(1,4-diazepan-1-yl)-5-nitropyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[4-(1,4-diazepan-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C15H17ClN6O2 MolecularWeight: 348.78748

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CNCCN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN6O2/c16-11-2-4-12(5-3-11)19-15-18-10-13(22(23)24)14(20-15)21-8-1-6-17-7-9-21/h2-5,10,17H,1,6-9H2,(H,18,19,20)