2,8-dimethyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]quinazolin-4-one

Systemtic Name: 2,8-dimethyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]quinazolin-4-one Openeye Name: 2,8-dimethyl-3-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]quinazolin-4-one CAS Name: 2,8-dimethyl-3-[2-[(3R)-3-(1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]-4-quinazolinone IUPAC Name: 2,8-dimethyl-3-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]quinazolin-4-one Traditional Name: 2,8-dimethyl-3-[2-[(3R)-3-piperidinopyrrolidino]-1,3-benzothiazol-6-yl]quinazolin-4-one Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N(C2=O)C3=CC4=C(C=C3)N=C(S4)N5CCC(C5)N6CCCCC6)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(N(C2=O)C3=CC4=C(C=C3)N=C(S4)N5CC[C@H](C5)N6CCCCC6)C

InChI

InChI=1S/C26H29N5OS/c1-17-7-6-8-21-24(17)27-18(2)31(25(21)32)19-9-10-22-23(15-19)33-26(28-22)30-14-11-20(16-30)29-12-4-3-5-13-29/h6-10,15,20H,3-5,11-14,16H2,1-2H3/t20-/m1/s1