N6-(3,5-dimethylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3,5-dimethylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,5-dimethylphenyl)-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,5-dimethylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,5-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC(C)C)CC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC(C)C)CC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H29N5O2/c1-13(2)10-24(11-14(3)4)20-18(25(26)27)19(21-12-22-20)23-17-8-15(5)7-16(6)9-17/h7-9,12-14H,10-11H2,1-6H3,(H,21,22,23)