furan-2-yl-[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: furan-2-yl-[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 2-furyl-[(3S)-3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 2-furanyl-[(3S)-3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: furan-2-yl-[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 2-furyl-[(3S)-3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC=CO3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC=CO3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-15-11-23-21(28-14-16-5-2-8-22-12-16)24-19(15)17-6-3-9-25(13-17)20(26)18-7-4-10-27-18/h2,4-5,7-8,10-12,17H,3,6,9,13-14H2,1H3/t17-/m0/s1