[5-(2,6-diazidopurin-9-yl)-3-(2-methylphenyl)carbonyloxy-thiolan-2-yl]methyl 2-methylbenzoate

Systemtic Name: [5-(2,6-diazidopurin-9-yl)-3-(2-methylphenyl)carbonyloxy-thiolan-2-yl]methyl 2-methylbenzoate Openeye Name: [5-(2,6-diazidopurin-9-yl)-3-(2-methylbenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-(2,6-diazido-9-purinyl)-3-[(2-methylphenyl)-oxomethoxy]-2-thiolanyl]methyl ester IUPAC Name: [5-(2,6-diazidopurin-9-yl)-3-(2-methylbenzoyl)oxythiolan-2-yl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-(2,6-diazidopurin-9-yl)-3-o-toluoyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C26H22N10O4S MolecularWeight: 570.58248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2C(CC(S2)N3C=NC4=C(N=C(N=C43)N=[N+]=[N-])N=[N+]=[N-])OC(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2C(CC(S2)N3C=NC4=C(N=C(N=C43)N=[N+]=[N-])N=[N+]=[N-])OC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C26H22N10O4S/c1-14-7-3-5-9-16(14)24(37)39-12-19-18(40-25(38)17-10-6-4-8-15(17)2)11-20(41-19)36-13-29-21-22(32-34-27)30-26(33-35-28)31-23(21)36/h3-10,13,18-20H,11-12H2,1-2H3