(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-methylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-methylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-methyl-isothiourea Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C11H12N4OS/c1-13-11(12)17-6-9-14-8-5-3-2-4-7(8)10(16)15-9/h2-5H,6H2,1H3,(H2,12,13)(H,14,15,16)