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

Systemtic Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(2-propyl-5-pyrimidinyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-[(2-propylpyrimidin-5-yl)methyl]-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCC1=NC=C(C=N1)CN2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H30N6O/c1-2-5-20-23-12-17(13-24-20)14-25-15-18(19(28)16-25)26-8-10-27(11-9-26)21-6-3-4-7-22-21/h3-4,6-7,12-13,18-19,28H,2,5,8-11,14-16H2,1H3/t18-,19-/m0/s1