(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-[(phenylmethyl)amino]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-[(phenylmethyl)amino]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(benzylamino)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-[(phenylmethyl)amino]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(benzylamino)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(benzylamino)cyclohexa-2,4-dien-1-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3NCC4=CC=CC=C4)N=C(N2)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3NCC4=CC=CC=C4)/N=C(N2)N

InChI

InChI=1S/C22H25N5O/c23-22-26-18(16-8-5-11-24-14-16)12-19(27-22)21-17(9-4-10-20(21)28)25-13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16,24-25H,5,8,11,13-14H2,(H3,23,26,27)/b21-19+