2-[[(2S)-2-azanyl-3-cyclohexyl-propyl]amino]-5-(1,3-dihydroisoindol-2-yl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[[(2S)-2-azanyl-3-cyclohexyl-propyl]amino]-5-(1,3-dihydroisoindol-2-yl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[(2S)-2-amino-3-cyclohexyl-propyl]amino]-5-isoindolin-2-yl-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[(2S)-2-amino-3-cyclohexylpropyl]amino]-5-(1,3-dihydroisoindol-2-yl)-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[(2S)-2-amino-3-cyclohexylpropyl]amino]-5-(1,3-dihydroisoindol-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[(2S)-2-amino-3-cyclohexyl-propyl]amino]-5-isoindolin-2-yl-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2CCCCC2)N)C3=CC=NC=C3)N4CC5=CC=CC=C5C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1NC[C@H](CC2CCCCC2)N)C3=CC=NC=C3)N4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H34N6O/c1-32-26(34)25(33-17-21-9-5-6-10-22(21)18-33)24(20-11-13-29-14-12-20)31-27(32)30-16-23(28)15-19-7-3-2-4-8-19/h5-6,9-14,19,23H,2-4,7-8,15-18,28H2,1H3,(H,30,31)/t23-/m0/s1