6-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C15H17ClN4O2S MolecularWeight: 352.83908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN4O2S/c1-10(2)7-8-17-14-13(20(21)22)15(19-9-18-14)23-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)