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

Systemtic Name: 2-(azepan-1-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-N4-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCCC3

InChI

InChI=1S/C18H24N6O4/c1-27-12-7-8-14(28-2)13(11-12)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)