N2-(2-aminophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2-aminophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2-aminophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-aminophenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2-aminophenyl)-4-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(2-aminoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=CC=C2N)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=CC=C2N)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c1-11-16(24(25)26)17(21-12-7-9-13(27-2)10-8-12)23-18(20-11)22-15-6-4-3-5-14(15)19/h3-10H,19H2,1-2H3,(H2,20,21,22,23)