6-(azepan-1-yl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O2/c18-13-7-5-12(6-8-13)11-20-17-21-15(19)14(24(25)26)16(22-17)23-9-3-1-2-4-10-23/h5-8H,1-4,9-11H2,(H3,19,20,21,22)