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

Systemtic Name: 2-azanyl-6-prop-2-ynyl-3-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazolin-4-one Openeye Name: 2-amino-6-prop-2-ynyl-3-[(3,4,5-trimethoxyanilino)methyl]quinazolin-4-one CAS Name: 2-amino-6-prop-2-ynyl-3-[(3,4,5-trimethoxyanilino)methyl]-4-quinazolinone IUPAC Name: 2-amino-6-prop-2-ynyl-3-[(3,4,5-trimethoxyanilino)methyl]quinazolin-4-one Traditional Name: 2-amino-6-propargyl-3-[(3,4,5-trimethoxyanilino)methyl]quinazolin-4-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NCN2C(=O)C3=C(C=CC(=C3)CC#C)N=C2N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NCN2C(=O)C3=C(C=CC(=C3)CC#C)N=C2N

InChI

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