methyl 2-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C(=O)OC

InChI

InChI=1S/C20H18ClN5O4/c1-10-11-7-5-6-8-12(11)22-13(14(10)18(28)30-4)9-26-15-16(23-19(26)21)24(2)20(29)25(3)17(15)27/h5-8H,9H2,1-4H3