1-butyl-2-methyl-6-nitro-8-(2-oxidanylethenyl)quinazoline-4-thione

Systemtic Name: 1-butyl-2-methyl-6-nitro-8-(2-oxidanylethenyl)quinazoline-4-thione Openeye Name: 1-butyl-8-(2-hydroxyvinyl)-2-methyl-6-nitro-quinazoline-4-thione CAS Name: 1-butyl-8-(2-hydroxyethenyl)-2-methyl-6-nitro-4-quinazolinethione IUPAC Name: 1-butyl-8-(2-hydroxyethenyl)-2-methyl-6-nitroquinazoline-4-thione Traditional Name: 1-butyl-8-(2-hydroxyvinyl)-2-methyl-6-nitro-quinazoline-4-thione Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=S)C2=CC(=CC(=C21)C=CO)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C(=NC(=S)C2=CC(=CC(=C21)C=CO)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N3O3S/c1-3-4-6-17-10(2)16-15(22)13-9-12(18(20)21)8-11(5-7-19)14(13)17/h5,7-9,19H,3-4,6H2,1-2H3