(E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxo-2-(4-phenyl-1-piperazinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-keto-2-(4-phenylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C28H22N6OS MolecularWeight: 490.57888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C(C#N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C(\C#N)/C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H22N6OS/c29-19-20(27-30-23-10-4-5-11-24(23)36-27)18-22-26(31-25-12-6-7-13-34(25)28(22)35)33-16-14-32(15-17-33)21-8-2-1-3-9-21/h1-13,18H,14-17H2/b20-18+