7-butylsulfanyl-2-methyl-5-nitro-1H-quinazolin-4-one

Systemtic Name: 7-butylsulfanyl-2-methyl-5-nitro-1H-quinazolin-4-one Openeye Name: 7-butylsulfanyl-2-methyl-5-nitro-1H-quinazolin-4-one CAS Name: 7-(butylthio)-2-methyl-5-nitro-1H-quinazolin-4-one IUPAC Name: 7-butylsulfanyl-2-methyl-5-nitro-1H-quinazolin-4-one Traditional Name: 7-(butylthio)-2-methyl-5-nitro-1H-quinazolin-4-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C2C(=C1)NC(=NC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC(=C2C(=C1)NC(=NC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3S/c1-3-4-5-20-9-6-10-12(11(7-9)16(18)19)13(17)15-8(2)14-10/h6-7H,3-5H2,1-2H3,(H,14,15,17)