N-[(3S)-1-[[3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamide

Systemtic Name: N-[(3S)-1-[[3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamide Openeye Name: N-[(3S)-1-[[3-[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]pyrrolidin-3-yl]acetamide CAS Name: N-[(3S)-1-[[3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-3-pyrrolidinyl]acetamide IUPAC Name: N-[(3S)-1-[[3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide Traditional Name: N-[(3S)-1-[3-[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]benzyl]pyrrolidin-3-yl]acetamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC(=O)N[C@H]1CCN(C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O2/c1-15(28)24-19-7-10-27(14-19)13-16-3-2-4-18(11-16)22-25-20(12-21(29)26-22)17-5-8-23-9-6-17/h2-6,8-9,11-12,19H,7,10,13-14H2,1H3,(H,24,28)(H,25,26,29)/t19-/m0/s1