[5-[4-azanyl-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [5-[4-azanyl-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [5-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [5-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]-7-pyrrolo[2,3-d]pyrimidinyl]-3,4-dihydroxy-4-methyl-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [5-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [5-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C21H24N4O11P2 MolecularWeight: 570.382982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=C(C3=C2N=CN=C3N)C#CC4=CC=C(C=C4)OC)COP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

CC1(C(C(OC1N2C=C(C3=C2N=CN=C3N)C#CC4=CC=C(C=C4)OC)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C21H24N4O11P2/c1-21(27)17(26)15(10-34-38(31,32)36-37(28,29)30)35-20(21)25-9-13(16-18(22)23-11-24-19(16)25)6-3-12-4-7-14(33-2)8-5-12/h4-5,7-9,11,15,17,20,26-27H,10H2,1-2H3,(H,31,32)(H2,22,23,24)(H2,28,29,30)