2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-methyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-methyl-N-(2-thenyl)acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)CC4=CC=CS4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)CC4=CC=CS4

InChI

InChI=1S/C22H23N5O3S/c1-3-25-15-23-20-19(25)21(29)27(14-18(28)24(2)13-17-10-7-11-31-17)22(30)26(20)12-16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3