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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6O3S/c1-22(18-21-12-7-4-5-8-13(12)29-18)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