N-(4-azanylidene-1-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-chloranyl-benzamide

Systemtic Name: N-(4-azanylidene-1-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-chloranyl-benzamide Openeye Name: 4-chloro-N-(4-imino-1-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-chloro-N-(4-imino-1-phenethyl-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-chloro-N-(4-imino-1-phenethylpyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-chloro-N-(4-imino-1-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C20H17ClN6O MolecularWeight: 392.84158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=N)N(C=N3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=N2)C(=N)N(C=N3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c21-16-8-6-15(7-9-16)20(28)25-27-13-23-19-17(18(27)22)12-24-26(19)11-10-14-4-2-1-3-5-14/h1-9,12-13,22H,10-11H2,(H,25,28)