3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O6S/c1-22-12-21-17-16(22)18(26)24(20(28)23(17)2)8-4-10-31-19(27)14-5-6-15-13(11-14)7-9-25(15)32(3,29)30/h5-6,11-12H,4,7-10H2,1-3H3