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

Systemtic Name: 6-[[[3-(1-hydroxyethyl)phenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[[3-(1-hydroxyethyl)-N-prop-2-ynyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[[3-(1-hydroxyethyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[[3-(1-hydroxyethyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[[3-(1-hydroxyethyl)-N-propargyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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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)C(C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-4-10-24(18-7-5-6-17(12-18)14(2)25)13-16-8-9-20-19(11-16)21(26)23-15(3)22-20/h1,5-9,11-12,14,25H,10,13H2,2-3H3,(H,22,23,26)