N4-(2,5-dimethoxyphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(2,5-dimethoxyphenyl)amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-13(2)14-5-7-15(8-6-14)24-20-19(26(27)28)21(23-12-22-20)25-17-11-16(29-3)9-10-18(17)30-4/h5-13H,1-4H3,(H2,22,23,24,25)