4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(2-thienyl)thiazol-2-yl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-thiophen-2-yl-2-thiazolyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(2-thienyl)thiazol-2-yl]butyramide 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)CCCC(=O)NC3=NC(=CS3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=NC(=CS3)C4=CC=CS4

InChI

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