1,3-benzothiazol-2-ylmethyl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OCC3=NC4=CC=CC=C4S3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OCC3=NC4=CC=CC=C4S3)CC(C)C

InChI

InChI=1S/C24H29N5O4S/c1-4-5-12-28-22-21(23(31)27-24(28)32)29(13-15(2)3)18(26-22)10-11-20(30)33-14-19-25-16-8-6-7-9-17(16)34-19/h6-9,15H,4-5,10-14H2,1-3H3,(H,27,31,32)