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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Openeye Name: 3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-[4-oxo-2-(4-phenyl-1-piperazinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: 3-[4-keto-2-(4-phenylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]-2-tosyl-acrylonitrile Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H25N5O3S/c1-21-10-12-23(13-11-21)37(35,36)24(20-29)19-25-27(30-26-9-5-6-14-33(26)28(25)34)32-17-15-31(16-18-32)22-7-3-2-4-8-22/h2-14,19H,15-18H2,1H3