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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H26N6O6S MolecularWeight: 490.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N6O6S/c1-13-5-6-15(11-16(13)34(31,32)26-7-9-33-10-8-26)23-19(28)14(2)27-12-22-18-17(27)20(29)25(4)21(30)24(18)3/h5-6,11-12,14H,7-10H2,1-4H3,(H,23,28)