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

Systemtic Name: 5-[(4-fluorophenyl)amino]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-(4-fluoroanilino)-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(4-fluoroanilino)-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-(4-fluoroanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-5-(4-fluoroanilino)-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C16H16FN5O MolecularWeight: 313.329543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C16H16FN5O/c1-4-9-22-15(23)14-13(10(2)20-21(14)3)19-16(22)18-12-7-5-11(17)6-8-12/h4-8H,1,9H2,2-3H3,(H,18,19)