[5-[4-azanyl-5-(2-pyridin-2-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[4-azanyl-5-(2-pyridin-2-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[4-amino-5-[2-(2-pyridyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[4-amino-5-[2-(2-pyridinyl)ethynyl]-7-pyrrolo[2,3-d]pyrimidinyl]-3,4-dihydroxy-4-methyl-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-[4-amino-5-(2-pyridin-2-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[4-amino-5-[2-(2-pyridyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C19H20N5O7P MolecularWeight: 461.365161

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=C(C3=C2N=CN=C3N)C#CC4=CC=CC=N4)COP(=O)(O)O)O)O

Isomeric SMILES

CC1(C(C(OC1N2C=C(C3=C2N=CN=C3N)C#CC4=CC=CC=N4)COP(=O)(O)O)O)O

InChI

InChI=1S/C19H20N5O7P/c1-19(26)15(25)13(9-30-32(27,28)29)31-18(19)24-8-11(5-6-12-4-2-3-7-21-12)14-16(20)22-10-23-17(14)24/h2-4,7-8,10,13,15,18,25-26H,9H2,1H3,(H2,20,22,23)(H2,27,28,29)