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

Systemtic Name: N4-(2-methoxy-5-methyl-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-5-methyl-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxy-5-methylphenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxy-5-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(2-methoxy-5-methyl-phenyl)amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3/c1-12-8-9-15(26-2)14(10-12)22-18-16(23(24)25)17(19-11-20-18)21-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21,22)