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

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

Systemtic Name:(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2-methylpropyl)carbamimidothioate
Openeye Name:2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-isobutyl-isothiourea
CAS Name:N'-(2-methylpropyl)carbamimidothioic 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'-(2-methylpropyl)carbamimidothioate
Traditional Name:3-isobutyl-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)CN=C(N)SCC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC


Isomeric SMILES

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


InChI

InChI=1S/C16H22N4O3S/c1-9(2)7-18-16(17)24-8-14-19-11-6-13(23-4)12(22-3)5-10(11)15(21)20-14/h5-6,9H,7-8H2,1-4H3,(H2,17,18)(H,19,20,21)


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