6-[[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid

Systemtic Name: 6-[[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid Openeye Name: 6-[[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid CAS Name: 6-[[4-[6-[[anilino(oxo)methyl]amino]-9-purinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]pyridine-3-carboxylic acid Traditional Name: 6-[[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]nicotinic acid Formula: C26H25N7O7 MolecularWeight: 547.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4NC(=O)NC5=CC=CC=C5)COC6=NC=C(C=C6)C(=O)O)C

Isomeric SMILES

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4NC(=O)NC5=CC=CC=C5)COC6=NC=C(C=C6)C(=O)O)C

InChI

InChI=1S/C26H25N7O7/c1-26(2)39-19-16(11-37-17-9-8-14(10-27-17)24(34)35)38-23(20(19)40-26)33-13-30-18-21(28-12-29-22(18)33)32-25(36)31-15-6-4-3-5-7-15/h3-10,12-13,16,19-20,23H,11H2,1-2H3,(H,34,35)(H2,28,29,31,32,36)