1-methyl-4-[[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[[6-methyl-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[6-methyl-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[[6-methyl-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]pyrrole-2-carboxylic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN(C(=C3)C(=O)O)C)OCCCN4CCOCC4

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN(C(=C3)C(=O)O)C)OCCCN4CCOCC4

InChI

InChI=1S/C22H27N5O4/c1-15-10-17-18(12-20(15)31-7-3-4-27-5-8-30-9-6-27)23-14-24-21(17)25-16-11-19(22(28)29)26(2)13-16/h10-14H,3-9H2,1-2H3,(H,28,29)(H,23,24,25)