ethyl 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-2-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methylquinazolin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=CC=C3C)C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=CC=C3C)C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O4/c1-3-31-24(30)29-11-9-28(10-12-29)14-21-26-22-16(2)5-4-6-18(22)23(27-21)25-17-7-8-19-20(13-17)33-15-32-19/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,25,26,27)