3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]but-2-en-1-one Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)C=C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)C(=O)C=C(C)C

InChI

InChI=1S/C20H24N4O2/c1-15(2)13-19(25)23-9-11-24(12-10-23)20-21-8-7-18(22-20)26-17-6-4-5-16(3)14-17/h4-8,13-14H,9-12H2,1-3H3