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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C21H20ClN5O4/c1-12-15(10-13-9-14(22)5-6-16(13)24-12)20(29)31-8-4-7-27-19(28)17-18(23-11-25(17)2)26(3)21(27)30/h5-6,9-11H,4,7-8H2,1-3H3