5-tert-butyl-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiophene-2-carboxamide Openeye Name: 5-tert-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]thiophene-2-carboxamide CAS Name: 5-tert-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-2-thiophenecarboxamide IUPAC Name: 5-tert-butyl-3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]thiophene-2-carboxamide Traditional Name: 5-tert-butyl-3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]thiophene-2-carboxamide Formula: C18H22N6O4S MolecularWeight: 418.47008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)N)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)N)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H22N6O4S/c1-18(2,3)10-6-9(13(29-10)14(19)26)21-11(25)7-24-8-20-15-12(24)16(27)23(5)17(28)22(15)4/h6,8H,7H2,1-5H3,(H2,19,26)(H,21,25)