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

Systemtic Name: ethyl 7-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl]-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenyl]-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenyl]-1-ethyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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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)OCC

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)OCC

InChI

InChI=1S/C26H27N5O4/c1-4-31-14-20(25(33)35-5-2)23(32)18-8-7-16(12-21(18)31)19-11-15(6-9-22(19)34-3)10-17-13-29-26(28)30-24(17)27/h6-9,11-14H,4-5,10H2,1-3H3,(H4,27,28,29,30)