[4-acetyloxy-5-(6-aminopurin-9-yl)-2-[[[(Z)-4-azanylbut-2-enyl]-methyl-amino]methyl]oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-(6-aminopurin-9-yl)-2-[[[(Z)-4-azanylbut-2-enyl]-methyl-amino]methyl]oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-2-[[[(Z)-4-aminobut-2-enyl]-methyl-amino]methyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-2-[[[(Z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-2-[[[(Z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-adenin-9-yl-2-[[[(Z)-4-aminobut-2-enyl]-methyl-amino]methyl]tetrahydrofuran-3-yl] ester Formula: C19H27N7O5 MolecularWeight: 433.46158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3N)CN(C)CC=CCN

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3N)CN(C)C/C=C\CN

InChI

InChI=1S/C19H27N7O5/c1-11(27)29-15-13(8-25(3)7-5-4-6-20)31-19(16(15)30-12(2)28)26-10-24-14-17(21)22-9-23-18(14)26/h4-5,9-10,13,15-16,19H,6-8,20H2,1-3H3,(H2,21,22,23)/b5-4-