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

Systemtic Name: N-(4-azanylidene-1-ethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-chloranyl-benzamide Openeye Name: 4-chloro-N-(1-ethyl-4-imino-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-chloro-N-(1-ethyl-4-imino-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-chloro-N-(1-ethyl-4-iminopyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-chloro-N-(1-ethyl-4-imino-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C14H13ClN6O MolecularWeight: 316.74562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=N)N(C=N2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C2=C(C=N1)C(=N)N(C=N2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN6O/c1-2-20-13-11(7-18-20)12(16)21(8-17-13)19-14(22)9-3-5-10(15)6-4-9/h3-8,16H,2H2,1H3,(H,19,22)