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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H20N6O3S/c1-11-6-7-12-13(9-11)29-18(21-12)22-14(26)5-4-8-25-10-20-16-15(25)17(27)24(3)19(28)23(16)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,22,26)