7-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1H-quinazolin-4-one Openeye Name: 7-(5-isoquinolylsulfanyl)-2-methyl-6-nitro-1H-quinazolin-4-one CAS Name: 7-(5-isoquinolinylthio)-2-methyl-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-isoquinolin-5-ylsulfanyl-2-methyl-6-nitro-1H-quinazolin-4-one Traditional Name: 7-(5-isoquinolylthio)-2-methyl-6-nitro-1H-quinazolin-4-one Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)SC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)SC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O3S/c1-10-20-14-8-17(15(22(24)25)7-13(14)18(23)21-10)26-16-4-2-3-11-9-19-6-5-12(11)16/h2-9H,1H3,(H,20,21,23)