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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-ethylcarbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-ethyl-isothiourea CAS Name: N'-ethylcarbamimidothioic 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'-ethylcarbamimidothioate Traditional Name: 3-ethyl-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-4-16-14(15)22-7-12-17-9-6-11(21-3)10(20-2)5-8(9)13(19)18-12/h5-6H,4,7H2,1-3H3,(H2,15,16)(H,17,18,19)