(3S)-1-[2-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]ethyl]pyrrolidin-3-ol

Systemtic Name: (3S)-1-[2-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]ethyl]pyrrolidin-3-ol Openeye Name: (3S)-1-[2-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]ethyl]pyrrolidin-3-ol CAS Name: (3S)-1-[2-[[2-(2-pyridinyl)-6-(3-pyridinyl)-4-pyrimidinyl]amino]ethyl]-3-pyrrolidinol IUPAC Name: (3S)-1-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]pyrrolidin-3-ol Traditional Name: (3S)-1-[2-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]ethyl]pyrrolidin-3-ol Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(C[C@H]1O)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C20H22N6O/c27-16-6-10-26(14-16)11-9-23-19-12-18(15-4-3-7-21-13-15)24-20(25-19)17-5-1-2-8-22-17/h1-5,7-8,12-13,16,27H,6,9-11,14H2,(H,23,24,25)/t16-/m0/s1