6-(4-methylphenyl)sulfanyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC=C

InChI

InChI=1S/C14H14N4O2S/c1-3-8-15-13-12(18(19)20)14(17-9-16-13)21-11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,15,16,17)