N-(4-azanylidene-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methoxy-benzamide

Systemtic Name: N-(4-azanylidene-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methoxy-benzamide Openeye Name: N-(4-imino-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methoxy-benzamide CAS Name: N-(4-imino-2-phenethyl-5-pyrazolo[3,4-d]pyrimidinyl)-4-methoxybenzamide IUPAC Name: N-(4-imino-2-phenethylpyrazolo[3,4-d]pyrimidin-5-yl)-4-methoxybenzamide Traditional Name: N-(4-imino-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-methoxy-benzamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN2C=NC3=NN(C=C3C2=N)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN2C=NC3=NN(C=C3C2=N)CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-29-17-9-7-16(8-10-17)21(28)25-27-14-23-20-18(19(27)22)13-26(24-20)12-11-15-5-3-2-4-6-15/h2-10,13-14,22H,11-12H2,1H3,(H,25,28)