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

Systemtic Name: N-butyl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O2S/c1-2-3-8-16-13-12(19(20)21)14(18-9-17-13)22-11-6-4-10(15)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,16,17,18)