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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-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'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-5-9(2)18-16(17)24-8-14-19-11-7-13(23-4)12(22-3)6-10(11)15(21)20-14/h6-7,9H,5,8H2,1-4H3,(H2,17,18)(H,19,20,21)/t9-/m0/s1