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

Systemtic Name: N6-ethyl-N6-(3-methylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4,N4-diisobutyl-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N6-(3-methylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-6-N-(3-methylphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(diisobutylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CC(C)C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CC(C)C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O2/c1-7-25(18-10-8-9-17(6)11-18)21-19(26(27)28)20(22-14-23-21)24(12-15(2)3)13-16(4)5/h8-11,14-16H,7,12-13H2,1-6H3