5-(chloromethyl)-1,3-dimethyl-6-phenyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(chloromethyl)-1,3-dimethyl-6-phenyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(chloromethyl)-1,3-dimethyl-6-phenyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(chloromethyl)-1,3-dimethyl-6-phenyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-(chloromethyl)-1,3-dimethyl-6-phenylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(chloromethyl)-1,3-dimethyl-6-phenyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C14H13ClN4O MolecularWeight: 288.73222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O/c1-9-12-13(18(2)17-9)14(20)19(11(8-15)16-12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3