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

Systemtic Name: 2-azanyl-6-[[prop-2-ynyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[(3,4,5-trimethoxy-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[(3,4,5-trimethoxy-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-5-8-25(14-10-17(27-2)19(29-4)18(11-14)28-3)12-13-6-7-16-15(9-13)20(26)24-21(22)23-16/h1,6-7,9-11H,8,12H2,2-4H3,(H3,22,23,24,26)