2-[4-[[ethyl-[(1R,2R)-2-oxidanylcyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[ethyl-[(1R,2R)-2-oxidanylcyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[ethyl-[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[ethyl-[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[ethyl-[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[ethyl-[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(CC)C3CCCCC3O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN(CC)[C@@H]3CCCC[C@H]3O

InChI

InChI=1S/C22H31N3O2/c1-3-7-18-14-21(27)24-22(23-18)17-12-10-16(11-13-17)15-25(4-2)19-8-5-6-9-20(19)26/h10-14,19-20,26H,3-9,15H2,1-2H3,(H,23,24,27)/t19-,20-/m1/s1