(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]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'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

InChI

InChI=1S/C16H22N4O4S/c1-9(7-22-2)18-16(17)25-8-14-19-11-6-13(24-4)12(23-3)5-10(11)15(21)20-14/h5-6,9H,7-8H2,1-4H3,(H2,17,18)(H,19,20,21)/t9-/m1/s1