2-(heptylsulfanylmethyl)-4-methyl-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-(heptylsulfanylmethyl)-4-methyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(heptylsulfanylmethyl)-4-methyl-3-oxido-quinazolin-3-ium CAS Name: 2-[(heptylthio)methyl]-4-methyl-3-oxidoquinazolin-3-ium IUPAC Name: 2-(heptylsulfanylmethyl)-4-methyl-3-oxidoquinazolin-3-ium Traditional Name: 2-[(heptylthio)methyl]-4-methyl-3-oxido-quinazolin-3-ium Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC1=NC2=CC=CC=C2C(=[N+]1[O-])C

Isomeric SMILES

CCCCCCCSCC1=NC2=CC=CC=C2C(=[N+]1[O-])C

InChI

InChI=1S/C17H24N2OS/c1-3-4-5-6-9-12-21-13-17-18-16-11-8-7-10-15(16)14(2)19(17)20/h7-8,10-11H,3-6,9,12-13H2,1-2H3