4-[(E)-[[1-(6-methoxypyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

Systemtic Name: 4-[(E)-[[1-(6-methoxypyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[(E)-[[1-(6-methoxy-2-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazono]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[(E)-[[1-(6-methoxy-2-pyridinyl)-4-pyrazolo[3,4-d]pyrimidinyl]hydrazinylidene]methyl]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[(E)-[[1-(6-methoxypyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[(E)-[[1-(6-methoxy-2-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazono]methyl]-N-(3-pyrrolidinopropyl)benzamide Formula: C26H29N9O2 MolecularWeight: 499.56756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)N2C3=C(C=N2)C(=NC=N3)NN=CC4=CC=C(C=C4)C(=O)NCCCN5CCCC5

Isomeric SMILES

COC1=CC=CC(=N1)N2C3=C(C=N2)C(=NC=N3)N/N=C/C4=CC=C(C=C4)C(=O)NCCCN5CCCC5

InChI

InChI=1S/C26H29N9O2/c1-37-23-7-4-6-22(32-23)35-25-21(17-31-35)24(28-18-29-25)33-30-16-19-8-10-20(11-9-19)26(36)27-12-5-15-34-13-2-3-14-34/h4,6-11,16-18H,2-3,5,12-15H2,1H3,(H,27,36)(H,28,29,33)/b30-16+