[(1S,4R)-4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl ethanoate

Systemtic Name: [(1S,4R)-4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl ethanoate Openeye Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl acetate CAS Name: acetic acid [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl acetate Traditional Name: acetic acid [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl ester Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)N

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)N

InChI

InChI=1S/C16H20N6O2/c1-9(23)24-7-10-2-5-12(6-10)22-8-18-13-14(19-11-3-4-11)20-16(17)21-15(13)22/h2,5,8,10-12H,3-4,6-7H2,1H3,(H3,17,19,20,21)/t10-,12+/m1/s1