8-hex-2-ynyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-hex-2-ynyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-hex-2-ynyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-hex-2-ynyl-2-[4-(4-methyl-1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-hex-2-ynyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-hex-2-ynyl-2-[4-(4-methylpiperazino)anilino]pyrido[2,3-d]pyrimidin-7-one Formula: C24H28N6O MolecularWeight: 416.51872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCN1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCCC#CCN1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C24H28N6O/c1-3-4-5-6-13-30-22(31)12-7-19-18-25-24(27-23(19)30)26-20-8-10-21(11-9-20)29-16-14-28(2)15-17-29/h7-12,18H,3-4,13-17H2,1-2H3,(H,25,26,27)