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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-propyl-isothiourea Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-2-7-15-13(14)19-8-11-16-10-6-4-3-5-9(10)12(18)17-11/h3-6H,2,7-8H2,1H3,(H2,14,15)(H,16,17,18)