3-[9-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[9-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[9-methyl-4-oxo-2-(4-phenyl-1-piperazinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-keto-9-methyl-2-(4-phenylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C28H25N5O3S MolecularWeight: 511.5948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

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