[(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 2-azanyl-3-methyl-butanoate

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 2-azanyl-3-methyl-butanoate 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 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic 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 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric 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: C24H28ClN5O5 MolecularWeight: 501.96262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1C2C(C(O1)C3=CC=C4N3N=CN=C4N)(OC(O2)C5=CC=C(C=C5)Cl)C)N

Isomeric SMILES

CC(C)C(C(=O)OC[C@@H]1[C@@H]2[C@]([C@@H](O1)C3=CC=C4N3N=CN=C4N)(OC(O2)C5=CC=C(C=C5)Cl)C)N

InChI

InChI=1S/C24H28ClN5O5/c1-12(2)18(26)22(31)32-10-17-20-24(3,35-23(34-20)13-4-6-14(25)7-5-13)19(33-17)15-8-9-16-21(27)28-11-29-30(15)16/h4-9,11-12,17-20,23H,10,26H2,1-3H3,(H2,27,28,29)/t17-,18?,19+,20-,23?,24+/m1/s1