1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentane-1,4-dione

Systemtic Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentane-1,4-dione Openeye Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentane-1,4-dione CAS Name: 1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]pentane-1,4-dione IUPAC Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentane-1,4-dione Traditional Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]pentane-1,4-dione Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-15-4-3-5-17(14-15)27-18-8-9-21-20(22-18)24-12-10-23(11-13-24)19(26)7-6-16(2)25/h3-5,8-9,14H,6-7,10-13H2,1-2H3