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

Systemtic Name: 2-(butylsulfanylmethyl)-4-methyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(butylsulfanylmethyl)-4-methyl-3-oxido-quinazolin-3-ium CAS Name: 2-[(butylthio)methyl]-4-methyl-3-oxidoquinazolin-3-ium IUPAC Name: 2-(butylsulfanylmethyl)-4-methyl-3-oxidoquinazolin-3-ium Traditional Name: 2-[(butylthio)methyl]-4-methyl-3-oxido-quinazolin-3-ium Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=NC2=CC=CC=C2C(=[N+]1[O-])C

Isomeric SMILES

CCCCSCC1=NC2=CC=CC=C2C(=[N+]1[O-])C

InChI

InChI=1S/C14H18N2OS/c1-3-4-9-18-10-14-15-13-8-6-5-7-12(13)11(2)16(14)17/h5-8H,3-4,9-10H2,1-2H3