ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C21H21N5O4/c1-5-30-20(28)16-12(2)13-8-6-7-9-14(13)23-15(16)10-26-11-22-18-17(26)19(27)25(4)21(29)24(18)3/h6-9,11H,5,10H2,1-4H3