6-[6-methyl-4-[(3S)-3-oxidanylpiperidin-1-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-methyl-4-[(3S)-3-oxidanylpiperidin-1-yl]-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-[(3S)-3-hydroxy-1-piperidyl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(3S)-3-hydroxy-1-piperidinyl]-6-methyl-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-[(3S)-3-hydroxypiperidino]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C2C=CC=CC2=O)N1)N3CCCC(C3)O

Isomeric SMILES

CC1=CC(=NC(=C2C=CC=CC2=O)N1)N3CCC[C@@H](C3)O

InChI

InChI=1S/C16H19N3O2/c1-11-9-15(19-8-4-5-12(20)10-19)18-16(17-11)13-6-2-3-7-14(13)21/h2-3,6-7,9,12,17,20H,4-5,8,10H2,1H3/t12-/m0/s1