6-[(3S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[(6-methyl-4-oxo-chromen-3-yl)methyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-[(4-keto-6-methyl-chromen-3-yl)methyl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCCC(C3)C4=CC(=O)N=CN4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCC[C@@H](C3)C4=CC(=O)N=CN4

InChI

InChI=1S/C20H21N3O3/c1-13-4-5-18-16(7-13)20(25)15(11-26-18)10-23-6-2-3-14(9-23)17-8-19(24)22-12-21-17/h4-5,7-8,11-12,14H,2-3,6,9-10H2,1H3,(H,21,22,24)/t14-/m0/s1