N4-(3-chlorophenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C15H18ClN5O2 MolecularWeight: 335.78872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H18ClN5O2/c1-10(2)6-7-17-14-13(21(22)23)15(19-9-18-14)20-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,18,19,20)