2-[(3S)-3-(1,2-benzoxazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[(3S)-3-(1,2-benzoxazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[(3S)-3-(1,2-benzoxazol-3-yl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[(3S)-3-(1,2-benzoxazol-3-yl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[(3S)-3-(1,2-benzoxazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[(3S)-3-indoxazen-3-ylpiperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=NOC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCN[C@@H](C2)C3=NOC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C21H20N6O2/c1-26-19(28)12-16(14-6-8-22-9-7-14)24-21(26)27-11-10-23-17(13-27)20-15-4-2-3-5-18(15)29-25-20/h2-9,12,17,23H,10-11,13H2,1H3/t17-/m0/s1