N4,N6-bis(3-methyl-4-propan-2-yl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(3-methyl-4-propan-2-yl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-isopropyl-3-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(3-methyl-4-propan-2-ylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(3-methyl-4-propan-2-ylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-isopropyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(4-isopropyl-3-methyl-phenyl)amine Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)C(C)C)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)C(C)C)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H29N5O2/c1-14(2)20-9-7-18(11-16(20)5)27-23-22(29(30)31)24(26-13-25-23)28-19-8-10-21(15(3)4)17(6)12-19/h7-15H,1-6H3,(H2,25,26,27,28)