4-[6-(2,2-diphenylethylamino)-2-ethoxycarbonyl-purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid

Systemtic Name: 4-[6-(2,2-diphenylethylamino)-2-ethoxycarbonyl-purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Openeye Name: 4-[6-(2,2-diphenylethylamino)-2-ethoxycarbonyl-purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid CAS Name: 4-[6-(2,2-diphenylethylamino)-2-ethoxycarbonyl-9-purinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid IUPAC Name: 4-[6-(2,2-diphenylethylamino)-2-ethoxycarbonylpurin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Traditional Name: 4-[2-carbethoxy-6-(2,2-diphenylethylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Formula: C30H31N5O7 MolecularWeight: 573.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C6C(C(O5)C(=O)O)OC(O6)(C)C

Isomeric SMILES

CCOC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C6C(C(O5)C(=O)O)OC(O6)(C)C

InChI

InChI=1S/C30H31N5O7/c1-4-39-29(38)25-33-24(31-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18)20-26(34-25)35(16-32-20)27-22-21(23(40-27)28(36)37)41-30(2,3)42-22/h5-14,16,19,21-23,27H,4,15H2,1-3H3,(H,36,37)(H,31,33,34)