3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[(1-phenylcyclohexyl)methyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[(1-phenylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(1-phenylcyclohexyl)methyl]propionamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3(CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3(CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-26-20-18(14-25-26)21(29)27(16-24-20)13-10-19(28)23-15-22(11-6-3-7-12-22)17-8-4-2-5-9-17/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3,(H,23,28)