6-[(3S)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CO1)CN2CCCC(C2)C3=CC(=O)N=CN3

Isomeric SMILES

C/C(=C\C1=CC=CO1)/CN2CCC[C@@H](C2)C3=CC(=O)N=CN3

InChI

InChI=1S/C17H21N3O2/c1-13(8-15-5-3-7-22-15)10-20-6-2-4-14(11-20)16-9-17(21)19-12-18-16/h3,5,7-9,12,14H,2,4,6,10-11H2,1H3,(H,18,19,21)/b13-8+/t14-/m0/s1