3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(1-methylsulfonyl-4-piperidyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(1-methylsulfonyl-4-piperidinyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(1-mesyl-4-piperidyl)propionamide Formula: C22H36N6O5S MolecularWeight: 496.62344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CCN(CC3)S(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CCN(CC3)S(=O)(=O)C)CC(C)C

InChI

InChI=1S/C22H36N6O5S/c1-5-6-11-27-20-19(21(30)25-22(27)31)28(14-15(2)3)17(24-20)7-8-18(29)23-16-9-12-26(13-10-16)34(4,32)33/h15-16H,5-14H2,1-4H3,(H,23,29)(H,25,30,31)