7-butyl-8-(4-methoxyphenyl)-1-prop-2-ynyl-purin-6-one

Systemtic Name: 7-butyl-8-(4-methoxyphenyl)-1-prop-2-ynyl-purin-6-one Openeye Name: 7-butyl-8-(4-methoxyphenyl)-1-prop-2-ynyl-purin-6-one CAS Name: 7-butyl-8-(4-methoxyphenyl)-1-prop-2-ynyl-6-purinone IUPAC Name: 7-butyl-8-(4-methoxyphenyl)-1-prop-2-ynylpurin-6-one Traditional Name: 7-butyl-8-(4-methoxyphenyl)-1-propargyl-purin-6-one Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=CN(C2=O)CC#C)N=C1C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C2=C(N=CN(C2=O)CC#C)N=C1C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N4O2/c1-4-6-12-23-16-17(20-13-22(11-5-2)19(16)24)21-18(23)14-7-9-15(25-3)10-8-14/h2,7-10,13H,4,6,11-12H2,1,3H3