N-(3-methoxyphenyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide Openeye Name: N-(3-methoxyphenyl)-3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfonyl-propanamide CAS Name: N-(3-methoxyphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)sulfonyl]propanamide IUPAC Name: N-(3-methoxyphenyl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide Traditional Name: 3-(2,6-diketo-1,3,9-trimethyl-purin-8-yl)sulfonyl-N-(3-methoxyphenyl)propionamide Formula: C18H21N5O6S MolecularWeight: 435.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H21N5O6S/c1-21-15-14(16(25)23(3)18(26)22(15)2)20-17(21)30(27,28)9-8-13(24)19-11-6-5-7-12(10-11)29-4/h5-7,10H,8-9H2,1-4H3,(H,19,24)