1-(3-chlorophenyl)-5-(2-oxidanylidenepropyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3-chlorophenyl)-5-(2-oxidanylidenepropyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-acetonyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3-chlorophenyl)-5-(2-oxopropyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3-chlorophenyl)-5-(2-oxopropyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-acetonyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H11ClN4O2/c1-9(20)7-18-8-16-13-12(14(18)21)6-17-19(13)11-4-2-3-10(15)5-11/h2-6,8H,7H2,1H3