N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-chloro-2,4-dimethoxy-phenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C20H20ClN5O4/c1-25(11-13-7-5-4-6-8-13)20-18(26(27)28)19(22-12-23-20)24-15-9-14(21)16(29-2)10-17(15)30-3/h4-10,12H,11H2,1-3H3,(H,22,23,24)