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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-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'-butylcarbamimidothioate Traditional Name: 3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-4-5-6-18-16(17)24-9-14-19-11-8-13(23-3)12(22-2)7-10(11)15(21)20-14/h7-8H,4-6,9H2,1-3H3,(H2,17,18)(H,19,20,21)