N4,N4-bis(2-methylpropyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-diisobutyl-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methylpropyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-diisobutyl-amine Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c1-14(2)11-25(12-15(3)4)21-19(26(27)28)20(22-13-23-21)24-18-9-7-17(8-10-18)16(5)6/h7-10,13-16H,11-12H2,1-6H3,(H,22,23,24)