(3aR,4R,6S,6aS)-4-[2-chloranyl-6-[2-(5-methylthiophen-2-yl)carbonylhydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Systemtic Name: (3aR,4R,6S,6aS)-4-[2-chloranyl-6-[2-(5-methylthiophen-2-yl)carbonylhydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-4-[2-chloro-6-[2-(5-methylthiophene-2-carbonyl)hydrazino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-4-[2-chloro-6-[[(5-methyl-2-thiophenyl)-oxomethyl]hydrazo]-9-purinyl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-4-[2-chloro-6-[2-(5-methylthiophene-2-carbonyl)hydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-4-[2-chloro-6-[N'-(5-methylthiophene-2-carbonyl)hydrazino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C21H24ClN7O5S MolecularWeight: 521.97716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=C(N=C4NNC(=O)C5=CC=C(S5)C)Cl)OC(O2)(C)C

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4NNC(=O)C5=CC=C(S5)C)Cl)OC(O2)(C)C

InChI

InChI=1S/C21H24ClN7O5S/c1-5-23-18(31)13-12-14(34-21(3,4)33-12)19(32-13)29-8-24-11-15(25-20(22)26-16(11)29)27-28-17(30)10-7-6-9(2)35-10/h6-8,12-14,19H,5H2,1-4H3,(H,23,31)(H,28,30)(H,25,26,27)/t12-,13+,14-,19-/m1/s1