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

Systemtic Name: N4-(3-chloranyl-4-methyl-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methyl-phenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methylphenyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methylphenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-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=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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