N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

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