N4-butyl-N4-methyl-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N4-methyl-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(4-isopropylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: butyl-(6-cumidino-5-nitro-pyrimidin-4-yl)-methyl-amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2/c1-5-6-11-22(4)18-16(23(24)25)17(19-12-20-18)21-15-9-7-14(8-10-15)13(2)3/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20,21)