ethyl 4-[1-(6-aminopurin-9-yl)-4-ethoxy-4-oxidanylidene-but-2-enoxy]-5-oxidanyl-pent-2-enoate

Systemtic Name: ethyl 4-[1-(6-aminopurin-9-yl)-4-ethoxy-4-oxidanylidene-but-2-enoxy]-5-oxidanyl-pent-2-enoate Openeye Name: ethyl 4-[1-(6-aminopurin-9-yl)-4-ethoxy-4-oxo-but-2-enoxy]-5-hydroxy-pent-2-enoate CAS Name: 4-[1-(6-aminopurin-9-yl)-4-ethoxy-4-oxobut-2-enoxy]-5-hydroxy-2-pentenoic acid ethyl ester IUPAC Name: ethyl 4-[1-(6-aminopurin-9-yl)-4-ethoxy-4-oxobut-2-enoxy]-5-hydroxypent-2-enoate Traditional Name: 4-(1-adenin-9-yl-4-ethoxy-4-keto-but-2-enoxy)-5-hydroxy-pent-2-enoic acid ethyl ester Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CO)OC(C=CC(=O)OCC)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CCOC(=O)C=CC(CO)OC(C=CC(=O)OCC)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C18H23N5O6/c1-3-27-14(25)7-5-12(9-24)29-13(6-8-15(26)28-4-2)23-11-22-16-17(19)20-10-21-18(16)23/h5-8,10-13,24H,3-4,9H2,1-2H3,(H2,19,20,21)