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

Systemtic Name: 4-[[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[6-methyl-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[6-methyl-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[6-methyl-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[6-methyl-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]-1H-pyrrole-2-carboxylic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-14-9-16-17(11-19(14)30-6-2-3-26-4-7-29-8-5-26)23-13-24-20(16)25-15-10-18(21(27)28)22-12-15/h9-13,22H,2-8H2,1H3,(H,27,28)(H,23,24,25)