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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC(=CC=C4)Cl)N

Isomeric SMILES

C1CN(CCC1O)C(=O)C2=CC(=CN2)C3=NC(=NC=C3C4=CC(=CC=C4)Cl)N

InChI

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