3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C18H18N6O3S2/c1-22-15-14(16(26)23(2)18(22)27)24(9-19-15)7-6-13(25)20-10-4-5-11-12(8-10)29-17(21-11)28-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,25)