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

Systemtic Name: N4,N6-bis(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-12-5-7-16(28-3)14(9-12)23-19-18(25(26)27)20(22-11-21-19)24-15-10-13(2)6-8-17(15)29-4/h5-11H,1-4H3,(H2,21,22,23,24)