N4-heptan-4-yl-2-methyl-5-nitro-N6-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-heptan-4-yl-2-methyl-5-nitro-N6-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine Openeye Name: 2-methyl-5-nitro-N4-(1-propylbutyl)-N6-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine CAS Name: N4-heptan-4-yl-2-methyl-5-nitro-N6-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-heptan-4-yl-2-methyl-5-nitro-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-mesidino-2-methyl-5-nitro-pyrimidin-4-yl)-(1-propylbutyl)amine Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2C)C)C)C

Isomeric SMILES

CCCC(CCC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2C)C)C)C

InChI

InChI=1S/C21H31N5O2/c1-7-9-17(10-8-2)24-20-19(26(27)28)21(23-16(6)22-20)25-18-14(4)11-13(3)12-15(18)5/h11-12,17H,7-10H2,1-6H3,(H2,22,23,24,25)