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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H18ClN5O4/c1-28-15-9-16(29-2)14(8-13(15)20)24-19-17(25(26)27)18(22-11-23-19)21-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)