1-butyl-2-methyl-6,8-dinitro-quinazoline-4-thione

Systemtic Name: 1-butyl-2-methyl-6,8-dinitro-quinazoline-4-thione Openeye Name: 1-butyl-2-methyl-6,8-dinitro-quinazoline-4-thione CAS Name: 1-butyl-2-methyl-6,8-dinitro-4-quinazolinethione IUPAC Name: 1-butyl-2-methyl-6,8-dinitroquinazoline-4-thione Traditional Name: 1-butyl-2-methyl-6,8-dinitro-quinazoline-4-thione Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S/c1-3-4-5-15-8(2)14-13(22)10-6-9(16(18)19)7-11(12(10)15)17(20)21/h6-7H,3-5H2,1-2H3