[(3aS,4S,6R,6aR)-4-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl benzoate

Systemtic Name: [(3aS,4S,6R,6aR)-4-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl benzoate Openeye Name: [(3aS,4S,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4S,6R,6aR)-4-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(3aS,4S,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4S,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C26H23ClN4O5 MolecularWeight: 506.93762

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(OC1C3=CC=C4N3N=CN=C4N)COC(=O)C5=CC=CC=C5)OC(O2)C6=CC=C(C=C6)Cl

Isomeric SMILES

C[C@@]12[C@@H]([C@H](O[C@H]1C3=CC=C4N3N=CN=C4N)COC(=O)C5=CC=CC=C5)OC(O2)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H23ClN4O5/c1-26-21(18-11-12-19-23(28)29-14-30-31(18)19)34-20(13-33-24(32)15-5-3-2-4-6-15)22(26)35-25(36-26)16-7-9-17(27)10-8-16/h2-12,14,20-22,25H,13H2,1H3,(H2,28,29,30)/t20-,21+,22-,25?,26+/m1/s1