5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-2,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-2,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-2,6-dimethyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-2,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-2,6-dimethyl-1H-pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S/c1-13-16(20(27)23-14(2)22-13)7-8-19(26)25-11-9-15(10-12-25)21-24-17-5-3-4-6-18(17)28-21/h3-6,15H,7-12H2,1-2H3,(H,22,23,27)