N-butan-2-yl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-butan-2-yl-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

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