6-[[[3-(hydroxymethyl)phenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[[3-(hydroxymethyl)phenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[[3-(hydroxymethyl)-N-prop-2-ynyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[[3-(hydroxymethyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[[3-(hydroxymethyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[(3-methylol-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)CO

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)CO

InChI

InChI=1S/C20H19N3O2/c1-3-9-23(17-6-4-5-16(10-17)13-24)12-15-7-8-19-18(11-15)20(25)22-14(2)21-19/h1,4-8,10-11,24H,9,12-13H2,2H3,(H,21,22,25)