(3S)-3-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4H-isochromen-1-one

Systemtic Name: (3S)-3-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4H-isochromen-1-one Openeye Name: (3S)-3-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isochroman-1-one CAS Name: (3S)-3-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4H-isochromen-1-one Traditional Name: (3S)-3-methyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]isochroman-1-one Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H20N4O3/c1-19(13-14-5-2-3-6-15(14)16(24)26-19)17(25)22-9-11-23(12-10-22)18-20-7-4-8-21-18/h2-8H,9-13H2,1H3/t19-/m0/s1