5-nitro-N-prop-2-enyl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-prop-2-enyl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-allyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-prop-2-enyl-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-prop-2-enyl-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: allyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O2S/c1-2-8-18-15-14(21(22)23)16(20-10-19-15)24-12-7-3-5-11-6-4-9-17-13(11)12/h2-7,9-10H,1,8H2,(H,18,19,20)