3-[(4-oxidanylpiperidin-4-yl)methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 3-[(4-oxidanylpiperidin-4-yl)methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperazin-2-one Openeye Name: 1-[6-(benzylamino)pyrimidin-4-yl]-3-[(4-hydroxy-4-piperidyl)methyl]piperazin-2-one CAS Name: 3-[(4-hydroxy-4-piperidinyl)methyl]-1-[6-[(phenylmethyl)amino]-4-pyrimidinyl]-2-piperazinone IUPAC Name: 1-[6-(benzylamino)pyrimidin-4-yl]-3-[(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 1-[6-(benzylamino)pyrimidin-4-yl]-3-[(4-hydroxy-4-piperidyl)methyl]piperazin-2-one Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CC2C(=O)N(CCN2)C3=CC(=NC=N3)NCC4=CC=CC=C4)O

Isomeric SMILES

C1CNCCC1(CC2C(=O)N(CCN2)C3=CC(=NC=N3)NCC4=CC=CC=C4)O

InChI

InChI=1S/C21H28N6O2/c28-20-17(13-21(29)6-8-22-9-7-21)23-10-11-27(20)19-12-18(25-15-26-19)24-14-16-4-2-1-3-5-16/h1-5,12,15,17,22-23,29H,6-11,13-14H2,(H,24,25,26)