3-methyl-1-[3-[[5-methyl-2-[(3-prop-2-ynoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[3-[[5-methyl-2-[(3-prop-2-ynoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Openeye Name: 3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one CAS Name: 3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)-4-pyrimidinyl]amino]phenyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Traditional Name: 3-methyl-1-[3-[[5-methyl-2-(3-propargyloxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)C=C(C)C)NC3=CC(=CC=C3)OCC#C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=CC(=C2)C(=O)C=C(C)C)NC3=CC(=CC=C3)OCC#C

InChI

InChI=1S/C25H24N4O2/c1-5-12-31-22-11-7-10-21(15-22)28-25-26-16-18(4)24(29-25)27-20-9-6-8-19(14-20)23(30)13-17(2)3/h1,6-11,13-16H,12H2,2-4H3,(H2,26,27,28,29)