2-azanyl-9-butyl-6-chloranyl-7-prop-2-enyl-purin-8-one

Systemtic Name: 2-azanyl-9-butyl-6-chloranyl-7-prop-2-enyl-purin-8-one Openeye Name: 7-allyl-2-amino-9-butyl-6-chloro-purin-8-one CAS Name: 2-amino-9-butyl-6-chloro-7-prop-2-enyl-8-purinone IUPAC Name: 2-amino-9-butyl-6-chloro-7-prop-2-enylpurin-8-one Traditional Name: 7-allyl-2-amino-9-butyl-6-chloro-purin-8-one Formula: C12H16ClN5O MolecularWeight: 281.74134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)N)Cl)N(C1=O)CC=C

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)N)Cl)N(C1=O)CC=C

InChI

InChI=1S/C12H16ClN5O/c1-3-5-7-18-10-8(9(13)15-11(14)16-10)17(6-4-2)12(18)19/h4H,2-3,5-7H2,1H3,(H2,14,15,16)