2-(4-iodophenyl)-5-methyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-(4-iodophenyl)-5-methyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-allyl-2-(4-iodophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(4-iodophenyl)-5-methyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-(4-iodophenyl)-5-methyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-allyl-2-(4-iodophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C16H14IN3O MolecularWeight: 391.20633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)I)CC=C

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)I)CC=C

InChI

InChI=1S/C16H14IN3O/c1-3-4-13-10(2)18-15-9-14(19-20(15)16(13)21)11-5-7-12(17)8-6-11/h3,5-9,19H,1,4H2,2H3