6-methyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyrimidin-4-one Openeye Name: 6-methyl-3-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyrimidin-4-one CAS Name: 6-methyl-3-[2-[(3R)-3-(1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]-4-pyrimidinone IUPAC Name: 6-methyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyrimidin-4-one Traditional Name: 6-methyl-3-[2-[(3R)-3-piperidinopyrrolidino]-1,3-benzothiazol-6-yl]pyrimidin-4-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C=N1)C2=CC3=C(C=C2)N=C(S3)N4CCC(C4)N5CCCCC5

Isomeric SMILES

CC1=CC(=O)N(C=N1)C2=CC3=C(C=C2)N=C(S3)N4CC[C@H](C4)N5CCCCC5

InChI

InChI=1S/C21H25N5OS/c1-15-11-20(27)26(14-22-15)16-5-6-18-19(12-16)28-21(23-18)25-10-7-17(13-25)24-8-3-2-4-9-24/h5-6,11-12,14,17H,2-4,7-10,13H2,1H3/t17-/m1/s1