3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-oxidanyl-butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-oxidanyl-butan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]butan-1-one Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-15-5-4-6-16(13-15)27-17-7-8-21-19(22-17)24-11-9-23(10-12-24)18(25)14-20(2,3)26/h4-8,13,26H,9-12,14H2,1-3H3