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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-3-8(2)17-14(16)21-7-12-18-11-6-9(15)4-5-10(11)13(20)19-12/h4-6,8H,3,7H2,1-2H3,(H2,16,17)(H,18,19,20)/t8-/m0/s1