3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)N=CN(C2=O)C#CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(N1)N=CN(C2=O)C#CC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H13N3O2/c1-11-9-14-15(18-11)17-10-19(16(14)20)8-7-12-3-5-13(21-2)6-4-12/h3-6,9-10,18H,1-2H3