(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-propylcarbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-propyl-isothiourea Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4OS/c1-2-5-16-13(15)20-7-11-17-10-6-8(14)3-4-9(10)12(19)18-11/h3-4,6H,2,5,7H2,1H3,(H2,15,16)(H,17,18,19)