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

Systemtic Name: propyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylsulfanyl]ethanoate Openeye Name: propyl 2-[(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methylthio]acetic acid propyl ester IUPAC Name: propyl 2-[(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)methylthio]acetic acid propyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CSCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H22N4O4S/c1-3-9-27-15(24)12-28-11-14-20-17-16(18(25)21-19(26)22(17)2)23(14)10-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)