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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)9-5-8-13(25)21-17-20-11-6-3-4-7-12(11)28-17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,21,25)