5-nitro-6-phenylsulfanyl-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-phenylsulfanyl-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylthio)-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenylsulfanyl-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S/c1-2-8-14-12-11(17(18)19)13(16-9-15-12)20-10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,15,16)