[6-azanyl-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] prop-2-enyl carbonate

Systemtic Name: [6-azanyl-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] prop-2-enyl carbonate Openeye Name: allyl [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] carbonate CAS Name: carbonic acid [6-amino-2-butoxy-9-(3-pyridinylmethyl)-8-purinyl] prop-2-enyl ester IUPAC Name: [6-amino-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] prop-2-enyl carbonate Traditional Name: carbonic acid allyl [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] ester Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=CC=C3)OC(=O)OCC=C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=CC=C3)OC(=O)OCC=C

InChI

InChI=1S/C19H22N6O4/c1-3-5-10-27-17-23-15(20)14-16(24-17)25(12-13-7-6-8-21-11-13)18(22-14)29-19(26)28-9-4-2/h4,6-8,11H,2-3,5,9-10,12H2,1H3,(H2,20,23,24)