2-[[8-butyl-6-(3-ethoxy-5-methoxy-phenyl)-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]-N-ethyl-N-methyl-ethanamine oxide

Systemtic Name: 2-[[8-butyl-6-(3-ethoxy-5-methoxy-phenyl)-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]-N-ethyl-N-methyl-ethanamine oxide Openeye Name: 2-[[8-butyl-6-(3-ethoxy-5-methoxy-phenyl)-7-oxo-pyrido[2,3-d]pyrimidin-2-yl]amino]-N-ethyl-N-methyl-ethanamine oxide CAS Name: 2-[[8-butyl-6-(3-ethoxy-5-methoxyphenyl)-7-oxo-2-pyrido[2,3-d]pyrimidinyl]amino]-N-ethyl-N-methylethanamine oxide IUPAC Name: 2-[[8-butyl-6-(3-ethoxy-5-methoxyphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-ethyl-N-methylethanamine oxide Traditional Name: 2-[[8-butyl-6-(3-ethoxy-5-methoxy-phenyl)-7-keto-pyrido[2,3-d]pyrimidin-2-yl]amino]-N-ethyl-N-methyl-ethanamine oxide Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC=C2C=C(C1=O)C3=CC(=CC(=C3)OCC)OC)NCC[N+](C)(CC)[O-]

Isomeric SMILES

CCCCN1C2=NC(=NC=C2C=C(C1=O)C3=CC(=CC(=C3)OCC)OC)NCC[N+](C)(CC)[O-]

InChI

InChI=1S/C25H35N5O4/c1-6-9-11-29-23-19(17-27-25(28-23)26-10-12-30(4,32)7-2)15-22(24(29)31)18-13-20(33-5)16-21(14-18)34-8-3/h13-17H,6-12H2,1-5H3,(H,26,27,28)