2-azanyl-5-methyl-6-[[prop-2-ynyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-azanyl-5-methyl-6-[[prop-2-ynyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-5-methyl-6-[(3,4,5-trimethoxy-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-amino-5-methyl-6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-5-methyl-6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-5-methyl-6-[(3,4,5-trimethoxy-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N=C(N2)N)CN(CC#C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N=C(N2)N)CN(CC#C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H24N4O4/c1-6-9-26(15-10-17(28-3)20(30-5)18(11-15)29-4)12-14-7-8-16-19(13(14)2)21(27)25-22(23)24-16/h1,7-8,10-11H,9,12H2,2-5H3,(H3,23,24,25,27)