3-phenyl-4-[2-[(phenylmethyl)amino]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 3-phenyl-4-[2-[(phenylmethyl)amino]pyrimidin-4-yl]piperazin-2-one Openeye Name: 4-[2-(benzylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 3-phenyl-4-[2-[(phenylmethyl)amino]-4-pyrimidinyl]-2-piperazinone IUPAC Name: 4-[2-(benzylamino)pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-(benzylamino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c27-20-19(17-9-5-2-6-10-17)26(14-13-22-20)18-11-12-23-21(25-18)24-15-16-7-3-1-4-8-16/h1-12,19H,13-15H2,(H,22,27)(H,23,24,25)