2-azanyl-6-chloranyl-9-(4-oxidanylbutyl)-7-prop-2-enyl-purin-8-one

Systemtic Name: 2-azanyl-6-chloranyl-9-(4-oxidanylbutyl)-7-prop-2-enyl-purin-8-one Openeye Name: 7-allyl-2-amino-6-chloro-9-(4-hydroxybutyl)purin-8-one CAS Name: 2-amino-6-chloro-9-(4-hydroxybutyl)-7-prop-2-enyl-8-purinone IUPAC Name: 2-amino-6-chloro-9-(4-hydroxybutyl)-7-prop-2-enylpurin-8-one Traditional Name: 7-allyl-2-amino-6-chloro-9-(4-hydroxybutyl)purin-8-one Formula: C12H16ClN5O2 MolecularWeight: 297.74074

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CCCCO

Isomeric SMILES

C=CCN1C2=C(N=C(N=C2Cl)N)N(C1=O)CCCCO

InChI

InChI=1S/C12H16ClN5O2/c1-2-5-17-8-9(13)15-11(14)16-10(8)18(12(17)20)6-3-4-7-19/h2,19H,1,3-7H2,(H2,14,15,16)