N-ethyl-2-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-ethyl-2-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-ethyl-2-[3-methyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-ethyl-2-[[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-ethyl-2-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[2,6-diketo-3-methyl-7-(4-methylbenzyl)purin-8-yl]thio]-N-ethyl-acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21N5O3S/c1-4-19-13(24)10-27-18-20-15-14(16(25)21-17(26)22(15)3)23(18)9-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,19,24)(H,21,25,26)