4-cyclobutyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)pyrimidine-5-carboxamide

Systemtic Name: 4-cyclobutyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)pyrimidine-5-carboxamide Openeye Name: 4-cyclobutyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-5-carboxamide CAS Name: 4-cyclobutyl-2-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-N-(5-hydroxy-2-adamantyl)-5-pyrimidinecarboxamide IUPAC Name: 4-cyclobutyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-5-carboxamide Traditional Name: 4-cyclobutyl-2-[(3R,5S)-3,5-dimethylpiperazino]-N-(5-hydroxy-2-adamantyl)pyrimidine-5-carboxamide Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3CCC3)C(=O)NC4C5CC6CC4CC(C6)(C5)O

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=N2)C3CCC3)C(=O)NC4C5CC6CC4CC(C6)(C5)O

InChI

InChI=1S/C25H37N5O2/c1-14-12-30(13-15(2)27-14)24-26-11-20(22(29-24)17-4-3-5-17)23(31)28-21-18-6-16-7-19(21)10-25(32,8-16)9-18/h11,14-19,21,27,32H,3-10,12-13H2,1-2H3,(H,28,31)/t14-,15+,16?,18?,19?,21?,25?