7-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-6-ethynyl-2,5-dimethoxy-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 7-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-6-ethynyl-2,5-dimethoxy-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-6-ethynyl-2,5-dimethoxy-4-oxo-quinoline-3-carboxamide CAS Name: 7-[(2,4-diamino-5-pyrimidinyl)methyl]-1-ethyl-6-ethynyl-2,5-dimethoxy-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-6-ethynyl-2,5-dimethoxy-4-oxoquinoline-3-carboxamide Traditional Name: 7-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-6-ethynyl-4-keto-2,5-dimethoxy-quinoline-3-carboxamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=C2)CC3=CN=C(N=C3N)N)C#C)OC)C(=O)C(=C1OC)C(=O)N

Isomeric SMILES

CCN1C2=C(C(=C(C(=C2)CC3=CN=C(N=C3N)N)C#C)OC)C(=O)C(=C1OC)C(=O)N

InChI

InChI=1S/C21H22N6O4/c1-5-12-10(7-11-9-25-21(24)26-18(11)22)8-13-14(17(12)30-3)16(28)15(19(23)29)20(31-4)27(13)6-2/h1,8-9H,6-7H2,2-4H3,(H2,23,29)(H4,22,24,25,26)