[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-3-phosphonooxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-3-phosphonooxyoxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (5-adenin-9-yl-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methyl ester Formula: C18H20N5O10P MolecularWeight: 497.352661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)(O)OP(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)(O)OP(=O)(O)O

InChI

InChI=1S/C18H20N5O10P/c1-30-10-4-2-9(3-5-10)17(25)31-6-11-18(26,33-34(27,28)29)13(24)16(32-11)23-8-22-12-14(19)20-7-21-15(12)23/h2-5,7-8,11,13,16,24,26H,6H2,1H3,(H2,19,20,21)(H2,27,28,29)