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

Systemtic Name: propyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]methylsulfanyl]ethanoate Openeye Name: propyl 2-[(3-methyl-2,6-dioxo-7-phenacyl-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-phenacyl-8-purinyl)methylthio]acetic acid propyl ester IUPAC Name: propyl 2-[(3-methyl-2,6-dioxo-7-phenacylpurin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenacyl-purin-8-yl)methylthio]acetic acid propyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSCC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CSCC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H22N4O5S/c1-3-9-29-16(26)12-30-11-15-21-18-17(19(27)22-20(28)23(18)2)24(15)10-14(25)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,22,27,28)