N-[4-[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide

Systemtic Name: N-[4-[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide Openeye Name: N-[4-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide CAS Name: N-[4-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]thio]phenyl]-2-propenamide IUPAC Name: N-[4-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide Traditional Name: N-[4-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]thio]phenyl]acrylamide Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1SC2=CC=C(C=C2)NC(=O)C=C)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1SC2=CC=C(C=C2)NC(=O)C=C)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H28N6OS/c1-4-23(32)27-19-7-11-22(12-8-19)33-24-18(2)17-26-25(29-24)28-20-5-9-21(10-6-20)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,27,32)(H,26,28,29)