N6-butyl-N4-(3,4-dichlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N6-butyl-N4-(3,4-dichlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N6-butyl-N4-(3,4-dichlorophenyl)-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N6-butyl-N4-(3,4-dichlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 6-N-butyl-4-N-(3,4-dichlorophenyl)-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-(butylamino)-5-nitroso-pyrimidin-4-yl]-(3,4-dichlorophenyl)amine Formula: C14H16Cl2N6O MolecularWeight: 355.22244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1N=O)NC2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

CCCCNC1=NC(=NC(=C1N=O)NC2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C14H16Cl2N6O/c1-2-3-6-18-12-11(22-23)13(21-14(17)20-12)19-8-4-5-9(15)10(16)7-8/h4-5,7H,2-3,6H2,1H3,(H4,17,18,19,20,21)