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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N6O3S/c1-21-14-13(15(25)22(2)17(21)26)23(9-18-14)8-7-12(24)20-16-19-10-5-3-4-6-11(10)27-16/h3-6,9H,7-8H2,1-2H3,(H,19,20,24)