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

Systemtic Name: N2-(2,5-dimethoxyphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(2,5-dimethoxyphenyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(2,5-dimethoxyphenyl)amine Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H20N6O4/c1-28-13-8-9-15(29-2)14(10-13)22-19-23-17(20)16(25(26)27)18(24-19)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23,24)