4-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-[(3-aminophenyl)methylamino]-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-[(3-aminobenzyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C21H22N6O MolecularWeight: 374.43898

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c22-17-8-4-5-15(13-17)14-25-21-24-10-9-18(26-21)27-12-11-23-20(28)19(27)16-6-2-1-3-7-16/h1-10,13,19H,11-12,14,22H2,(H,23,28)(H,24,25,26)