5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-5-[4-(3-fluorobenzoyl)piperazino]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H23FN6O2/c1-4-8-28-20(30)18-17(14(2)24-25(18)3)23-21(28)27-11-9-26(10-12-27)19(29)15-6-5-7-16(22)13-15/h4-7,13H,1,8-12H2,2-3H3