[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; 2-diethylaminoethyl 4-azanylbenzoate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; 2-diethylaminoethyl 4-azanylbenzoate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; 2-diethylaminoethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-diethylaminoethyl ester; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; 2-diethylaminoethyl 4-aminobenzoate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; 4-aminobenzoic acid 2-diethylaminoethyl ester Formula: C23H34N7O9P MolecularWeight: 583.531321

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C13H20N2O2.C10H14N5O7P/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-8H,3-4,9-10,14H2,1-2H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t;4-,6-,7-,10-/m.1/s1