N-tert-butyl-N-(phenylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-N-(phenylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-tert-butyl-N-(phenylmethyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3S/c1-21(2,3)26(12-14-10-8-7-9-11-14)15(27)13-30-19-22-17-16(23(19)4)18(28)25(6)20(29)24(17)5/h7-11H,12-13H2,1-6H3