4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]phthalaldehyde

Systemtic Name: 4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]phthalaldehyde Openeye Name: 4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]phthalaldehyde CAS Name: 4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxymethyl]phthalaldehyde IUPAC Name: 4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]phthalaldehyde Traditional Name: 4-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxymethyl]phthalaldehyde Formula: C19H19N5O6 MolecularWeight: 413.38406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C=O)C=O

Isomeric SMILES

C1=CC(=C(C=C1COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C=O)C=O

InChI

InChI=1S/C19H19N5O6/c20-17-14-18(22-8-21-17)24(9-23-14)19-16(28)15(27)13(30-19)7-29-6-10-1-2-11(4-25)12(3-10)5-26/h1-5,8-9,13,15-16,19,27-28H,6-7H2,(H2,20,21,22)