7-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[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:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=C(C=CC(=C3)CC4=CN=C(N=C4N)N)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=C(C=CC(=C3)CC4=CN=C(N=C4N)N)OC)C(=O)O

InChI

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