1-[2-[(3-chloranyl-4-oxidanyl-phenyl)amino]-6-phenyl-pyrimidin-4-yl]piperidin-4-ol

Systemtic Name: 1-[2-[(3-chloranyl-4-oxidanyl-phenyl)amino]-6-phenyl-pyrimidin-4-yl]piperidin-4-ol Openeye Name: 1-[2-(3-chloro-4-hydroxy-anilino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol CAS Name: 1-[2-(3-chloro-4-hydroxyanilino)-6-phenyl-4-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[2-(3-chloro-4-hydroxyanilino)-6-phenylpyrimidin-4-yl]piperidin-4-ol Traditional Name: 1-[2-(3-chloro-4-hydroxy-anilino)-6-phenyl-pyrimidin-4-yl]piperidin-4-ol Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

C1CN(CCC1O)C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C21H21ClN4O2/c22-17-12-15(6-7-19(17)28)23-21-24-18(14-4-2-1-3-5-14)13-20(25-21)26-10-8-16(27)9-11-26/h1-7,12-13,16,27-28H,8-11H2,(H,23,24,25)