2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C20H24N6O6S MolecularWeight: 476.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H24N6O6S/c1-13(26-12-21-17-16(26)19(28)24(3)20(29)23(17)2)18(27)22-14-4-6-15(7-5-14)33(30,31)25-8-10-32-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,27)