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

Systemtic Name: N-[3-(3-hydroxyphenyl)-3-oxidanyl-propyl]-4-phenyl-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Openeye Name: N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-2-(2-thienylmethylamino)pyrimidine-5-carboxamide CAS Name: N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-2-(thiophen-2-ylmethylamino)-5-pyrimidinecarboxamide IUPAC Name: N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide Traditional Name: N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenyl-2-(2-thenylamino)pyrimidine-5-carboxamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NCCC(C3=CC(=CC=C3)O)O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)NCCC(C3=CC(=CC=C3)O)O)NCC4=CC=CS4

InChI

InChI=1S/C25H24N4O3S/c30-19-9-4-8-18(14-19)22(31)11-12-26-24(32)21-16-28-25(27-15-20-10-5-13-33-20)29-23(21)17-6-2-1-3-7-17/h1-10,13-14,16,22,30-31H,11-12,15H2,(H,26,32)(H,27,28,29)