N-[3-(3-hydroxyphenyl)-3-oxidanyl-propyl]-4-phenyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: N-[3-(3-hydroxyphenyl)-3-oxidanyl-propyl]-4-phenyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-(benzylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-2-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-(benzylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(benzylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-pyrimidine-5-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)C3=CC=CC=C3)C(=O)NCCC(C4=CC(=CC=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)C3=CC=CC=C3)C(=O)NCCC(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C27H26N4O3/c32-22-13-7-12-21(16-22)24(33)14-15-28-26(34)23-18-30-27(29-17-19-8-3-1-4-9-19)31-25(23)20-10-5-2-6-11-20/h1-13,16,18,24,32-33H,14-15,17H2,(H,28,34)(H,29,30,31)