propyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanyl]ethanoate

Systemtic Name: propyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanyl]ethanoate Openeye Name: propyl 2-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methylthio]acetic acid propyl ester IUPAC Name: propyl 2-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methylthio]acetic acid propyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CSCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H24N4O4S/c1-3-11-28-16(25)13-29-12-15-21-18-17(19(26)22-20(27)23(18)2)24(15)10-9-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,22,26,27)