6-[6-methyl-4-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-methyl-4-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[6-methyl-4-[(2S)-2-methyl-1-piperidyl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[6-methyl-4-[(2S)-2-methyl-1-piperidinyl]-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[6-methyl-4-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[6-methyl-4-[(2S)-2-methylpiperidino]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=C3C=CC=CC3=O)NC(=C2)C

Isomeric SMILES

C[C@H]1CCCCN1C2=NC(=C3C=CC=CC3=O)NC(=C2)C

InChI

InChI=1S/C17H21N3O/c1-12-11-16(20-10-6-5-7-13(20)2)19-17(18-12)14-8-3-4-9-15(14)21/h3-4,8-9,11,13,18H,5-7,10H2,1-2H3/t13-/m0/s1