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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2,6-dimethylphenyl)isothiourea CAS Name: N'-(2,6-dimethylphenyl)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'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C20H22N4O3S/c1-11-6-5-7-12(2)18(11)24-20(21)28-10-17-22-14-9-16(27-4)15(26-3)8-13(14)19(25)23-17/h5-9H,10H2,1-4H3,(H2,21,24)(H,22,23,25)