3-[[4-(hydroxymethyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione

Systemtic Name: 3-[[4-(hydroxymethyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione Openeye Name: 3-[[4-(hydroxymethyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione CAS Name: 3-[[4-(hydroxymethyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione IUPAC Name: 3-[[4-(hydroxymethyl)phenyl]methyl]-1-methyl-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione Traditional Name: 1-methyl-3-(4-methylolbenzyl)-6-(3-phenylprop-1-ynyl)quinazoline-2,4-quinone Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)CO

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)CO

InChI

InChI=1S/C26H22N2O3/c1-27-24-15-14-20(9-5-8-19-6-3-2-4-7-19)16-23(24)25(30)28(26(27)31)17-21-10-12-22(18-29)13-11-21/h2-4,6-7,10-16,29H,8,17-18H2,1H3