3-cyclohexyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-cyclohexyl-propanamide CAS Name: 3-cyclohexyl-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]propanamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-cyclohexylpropanamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-cyclohexyl-propionamide Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCC(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2/c29-21(12-11-18-7-3-1-4-8-18)24-13-14-28-22-20(15-26-28)23(30)27(17-25-22)16-19-9-5-2-6-10-19/h2,5-6,9-10,15,17-18H,1,3-4,7-8,11-14,16H2,(H,24,29)