[5-[2-[(4-butylphenyl)amino]-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[2-[(4-butylphenyl)amino]-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[2-(4-butylanilino)-6-oxo-3H-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[2-(4-butylanilino)-6-oxo-3H-purin-9-yl]-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-[2-(4-butylanilino)-6-oxo-3H-purin-9-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[2-(4-butylanilino)-6-keto-3H-purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C20H26N5O7P MolecularWeight: 479.423501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)COP(=O)(O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)COP(=O)(O)O)O

InChI

InChI=1S/C20H26N5O7P/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(32-16)10-31-33(28,29)30/h5-8,11,14-16,26H,2-4,9-10H2,1H3,(H2,28,29,30)(H2,22,23,24,27)