N-(1,3-benzothiazol-2-ylmethyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1,3-benzothiazol-2-ylmethyl)propionamide Formula: C25H32N6O3S MolecularWeight: 496.62498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H32N6O3S/c1-3-5-9-15-30-19(28-23-22(30)24(33)29-25(34)31(23)14-6-4-2)12-13-20(32)26-16-21-27-17-10-7-8-11-18(17)35-21/h7-8,10-11H,3-6,9,12-16H2,1-2H3,(H,26,32)(H,29,33,34)