N-butyl-N-methyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-butyl-N-methyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-butyl-N-methyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-butyl-N-methyl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-butyl-N-methyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: butyl-methyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-3-4-10-18(2)14-13(19(20)21)15(17-11-16-14)22-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3