N6-(2-methoxy-5-methyl-phenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methoxy-5-methyl-phenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N4-diisobutyl-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxy-5-methylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methoxy-5-methylphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: diisobutyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3/c1-13(2)10-24(11-14(3)4)20-18(25(26)27)19(21-12-22-20)23-16-9-15(5)7-8-17(16)28-6/h7-9,12-14H,10-11H2,1-6H3,(H,21,22,23)