(3S,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(2-ethyl-5-pyrimidinyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC1=NC=C(C=N1)CN2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H28N6O/c1-2-19-22-11-16(12-23-19)13-24-14-17(18(27)15-24)25-7-9-26(10-8-25)20-5-3-4-6-21-20/h3-6,11-12,17-18,27H,2,7-10,13-15H2,1H3/t17-,18-/m0/s1