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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N6O6S/c1-23-18-17(19(28)24(2)20(23)29)25(13-21-18)7-6-16(27)22-14-4-3-5-15(12-14)33(30,31)26-8-10-32-11-9-26/h3-5,12-13H,6-11H2,1-2H3,(H,22,27)