N4-(4-chloranyl-2-methyl-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O4/c1-13-10-15(22)5-6-16(13)26-21-19(27(28)29)20(24-12-25-21)23-9-8-14-4-7-17(30-2)18(11-14)31-3/h4-7,10-12H,8-9H2,1-3H3,(H2,23,24,25,26)