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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H20N6O3S/c1-22-12-7-4-5-8-13(12)29-18(22)21-14(26)9-6-10-25-11-20-16-15(25)17(27)24(3)19(28)23(16)2/h4-5,7-8,11H,6,9-10H2,1-3H3