2-(azepan-1-yl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(azepan-1-yl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3)C

InChI

InChI=1S/C18H24N6O2/c1-12-7-8-14(11-13(12)2)20-17-15(24(25)26)16(19)21-18(22-17)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)