[4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(3-oxidanylpiperidin-1-yl)methanone

Systemtic Name: [4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidyl)methanone CAS Name: [4-(2-amino-5-phenyl-4-pyrimidinyl)-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidinyl)methanone IUPAC Name: [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypiperidin-1-yl)methanone Traditional Name: [4-(2-amino-5-phenyl-pyrimidin-4-yl)-1H-pyrrol-2-yl]-(3-hydroxypiperidino)methanone Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC=CC=C4)N)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC=CC=C4)N)O

InChI

InChI=1S/C20H21N5O2/c21-20-23-11-16(13-5-2-1-3-6-13)18(24-20)14-9-17(22-10-14)19(27)25-8-4-7-15(26)12-25/h1-3,5-6,9-11,15,22,26H,4,7-8,12H2,(H2,21,23,24)