3-[(3-chlorophenyl)amino]-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-3-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(3-chloroanilino)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-3-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-3-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H14ClN5O MolecularWeight: 351.78966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=NC(=O)C3=C(N2)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=NC(=O)C3=C(N2)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H14ClN5O/c19-13-7-4-8-14(9-13)22-16-15-17(20-11-21-18(15)25)24(23-16)10-12-5-2-1-3-6-12/h1-9,11,22-23H,10H2