[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4)C

InChI

InChI=1S/C19H19N5O4S/c1-3-4-7-24-16-15(17(25)22-19(24)27)23(2)14(21-16)9-28-18(26)11-5-6-12-13(8-11)29-10-20-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,22,25,27)