[(2R,3S,5R)-5-[4-[azanyl(methyl)amino]-5-cyano-pyrrolo[2,3-d][1,2,3]triazin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-[4-[azanyl(methyl)amino]-5-cyano-pyrrolo[2,3-d][1,2,3]triazin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-[4-[amino(methyl)amino]-5-cyano-pyrrolo[2,3-d]triazin-7-yl]-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[4-[amino(methyl)amino]-5-cyano-7-pyrrolo[2,3-d]triazinyl]-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-[4-[amino(methyl)amino]-5-cyanopyrrolo[2,3-d]triazin-7-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-[4-[amino(methyl)amino]-5-cyano-pyrrolo[2,3-d]triazin-7-yl]-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C28H27N7O5 MolecularWeight: 541.55788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C4=C3N=NN=C4N(C)N)C#N)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N=NN=C4N(C)N)C#N)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H27N7O5/c1-16-4-8-18(9-5-16)27(36)38-15-22-21(40-28(37)19-10-6-17(2)7-11-19)12-23(39-22)35-14-20(13-29)24-25(34(3)30)31-33-32-26(24)35/h4-11,14,21-23H,12,15,30H2,1-3H3/t21-,22+,23+/m0/s1