3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C

InChI

InChI=1S/C21H23N5O4/c1-12-8-13(2)14-10-16(23-15(14)9-12)20(28)30-7-5-6-26-19(27)17-18(22-11-24(17)3)25(4)21(26)29/h8-11,23H,5-7H2,1-4H3