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

Systemtic Name: 6-[[prop-2-ynyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[(3,4,5-trimethoxy-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 6-[(3,4,5-trimethoxy-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C21H21N3O4/c1-5-8-24(15-10-18(26-2)20(28-4)19(11-15)27-3)12-14-6-7-17-16(9-14)21(25)23-13-22-17/h1,6-7,9-11,13H,8,12H2,2-4H3,(H,22,23,25)