N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenyl-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenyl-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (6-amino-2-anilino-5-nitro-pyrimidin-4-yl)-(2,5-dimethoxyphenyl)amine Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O4/c1-27-12-8-9-14(28-2)13(10-12)21-17-15(24(25)26)16(19)22-18(23-17)20-11-6-4-3-5-7-11/h3-10H,1-2H3,(H4,19,20,21,22,23)