7-butyl-1-prop-2-ynyl-purin-6-one

Systemtic Name: 7-butyl-1-prop-2-ynyl-purin-6-one Openeye Name: 7-butyl-1-prop-2-ynyl-purin-6-one CAS Name: 7-butyl-1-prop-2-ynyl-6-purinone IUPAC Name: 7-butyl-1-prop-2-ynylpurin-6-one Traditional Name: 7-butyl-1-propargyl-purin-6-one Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C=N2)CC#C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C=N2)CC#C

InChI

InChI=1S/C12H14N4O/c1-3-5-7-15-8-13-11-10(15)12(17)16(6-4-2)9-14-11/h2,8-9H,3,5-7H2,1H3