N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-homoveratryl-amine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-15(2)17-6-8-18(9-7-17)27-23-21(28(29)30)22(25-14-26-23)24-12-11-16-5-10-19(31-3)20(13-16)32-4/h5-10,13-15H,11-12H2,1-4H3,(H2,24,25,26,27)