[(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [(2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidin-2-yl]-(4-methylpiperazino)methanone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H27N5O2/c1-16-5-3-6-17(15-16)28-19-8-9-22-21(23-19)26-10-4-7-18(26)20(27)25-13-11-24(2)12-14-25/h3,5-6,8-9,15,18H,4,7,10-14H2,1-2H3/t18-/m0/s1