1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]heptane-1,6-dione

Systemtic Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]heptane-1,6-dione Openeye Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]heptane-1,6-dione CAS Name: 1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]heptane-1,6-dione IUPAC Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]heptane-1,6-dione Traditional Name: 1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]heptane-1,6-dione Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17-6-5-8-19(16-17)29-20-10-11-23-22(24-20)26-14-12-25(13-15-26)21(28)9-4-3-7-18(2)27/h5-6,8,10-11,16H,3-4,7,9,12-15H2,1-2H3