2-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)C(=C1C3=C(C=CC(=C3)CC4=CN=C(N=C4N)N)OC)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)C(=C1C3=C(C=CC(=C3)CC4=CN=C(N=C4N)N)OC)C(=O)O

InChI

InChI=1S/C24H23N5O4/c1-3-29-17-7-5-4-6-15(17)21(30)19(23(31)32)20(29)16-11-13(8-9-18(16)33-2)10-14-12-27-24(26)28-22(14)25/h4-9,11-12H,3,10H2,1-2H3,(H,31,32)(H4,25,26,27,28)