N2-(3-chloranyl-4-methyl-phenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chloranyl-4-methyl-phenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3-chloro-4-methyl-phenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-chloro-4-methylphenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-methylphenyl)-4-N-(4-ethoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(3-chloro-4-methyl-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C20H20ClN5O3/c1-4-29-16-9-7-14(8-10-16)23-19-18(26(27)28)13(3)22-20(25-19)24-15-6-5-12(2)17(21)11-15/h5-11H,4H2,1-3H3,(H2,22,23,24,25)