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

Systemtic Name: N-tert-butyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-tert-butyl-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H31N5O3S/c1-15(2)28-18-19(25(6)22(31)26(7)20(18)30)24-21(28)32-14-17(29)27(23(3,4)5)13-16-11-9-8-10-12-16/h8-12,15H,13-14H2,1-7H3