3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C24H30N6O4S MolecularWeight: 498.5978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C24H30N6O4S/c1-4-6-12-29-18(26-21-20(29)22(32)28-24(33)30(21)13-7-5-2)10-11-19(31)27-23-25-16-9-8-15(34-3)14-17(16)35-23/h8-9,14H,4-7,10-13H2,1-3H3,(H,25,27,31)(H,28,32,33)