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

Systemtic Name: [4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidyl)methanone CAS Name: [4-[2-amino-5-(3-chlorophenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidinyl)methanone IUPAC Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidino)methanone Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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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)Cl)N)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2/c21-14-4-1-3-12(7-14)16-10-24-20(22)25-18(16)13-8-17(23-9-13)19(28)26-6-2-5-15(27)11-26/h1,3-4,7-10,15,23,27H,2,5-6,11H2,(H2,22,24,25)