2-[[(3aR,4R,6R,6aR)-4-[6-(cyclopentylcarbamoylamino)purin-9-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid

Systemtic Name: 2-[[(3aR,4R,6R,6aR)-4-[6-(cyclopentylcarbamoylamino)purin-9-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid Openeye Name: 2-[[(3aR,4R,6R,6aR)-4-[6-(cyclopentylcarbamoylamino)purin-9-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid CAS Name: 2-[[(3aR,4R,6R,6aR)-4-[6-[[(cyclopentylamino)-oxomethyl]amino]-9-purinyl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3-pyridinecarboxylic acid IUPAC Name: 2-[[(3aR,4R,6R,6aR)-4-[6-(cyclopentylcarbamoylamino)purin-9-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid Traditional Name: 2-[[(3aR,4R,6R,6aR)-4-[6-(cyclopentylcarbamoylamino)purin-9-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]nicotinic acid Formula: C31H33N7O7 MolecularWeight: 615.63642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC2=NC=NC3=C2N=CN3C4C5C(C(O4)COC6=C(C=CC=N6)C(=O)O)OC(O5)CCC7=CC=CC=C7

Isomeric SMILES

C1CCC(C1)NC(=O)NC2=NC=NC3=C2N=CN3[C@H]4[C@H]5[C@@H]([C@H](O4)COC6=C(C=CC=N6)C(=O)O)OC(O5)CCC7=CC=CC=C7

InChI

InChI=1S/C31H33N7O7/c39-30(40)20-11-6-14-32-28(20)42-15-21-24-25(45-22(44-24)13-12-18-7-2-1-3-8-18)29(43-21)38-17-35-23-26(33-16-34-27(23)38)37-31(41)36-19-9-4-5-10-19/h1-3,6-8,11,14,16-17,19,21-22,24-25,29H,4-5,9-10,12-13,15H2,(H,39,40)(H2,33,34,36,37,41)/t21-,22?,24-,25-,29-/m1/s1