(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-16(2,3)20-15(17)24-8-13-18-10-7-12(23-5)11(22-4)6-9(10)14(21)19-13/h6-7H,8H2,1-5H3,(H2,17,20)(H,18,19,21)