2-[[2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate

Systemtic Name: 2-[[2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: 2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid 2-[[2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid 2-[[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C46H39Cl2N7O9 MolecularWeight: 904.74936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4=NC(=O)C5=C(N4)N(C=N5)COCCOC(=O)CC6=C(N(C7=C6C=C(C=C7)OC)C(=O)C8=CC=C(C=C8)Cl)C

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4=NC(=O)C5=C(N4)N(C=N5)COCCOC(=O)CC6=C(N(C7=C6C=C(C=C7)OC)C(=O)C8=CC=C(C=C8)Cl)C

InChI

InChI=1S/C46H39Cl2N7O9/c1-25-33(35-19-31(61-3)13-15-37(35)54(25)44(59)27-5-9-29(47)10-6-27)21-39(56)50-46-51-42-41(43(58)52-46)49-23-53(42)24-63-17-18-64-40(57)22-34-26(2)55(38-16-14-32(62-4)20-36(34)38)45(60)28-7-11-30(48)12-8-28/h5-16,19-20,23H,17-18,21-22,24H2,1-4H3,(H2,50,51,52,56,58)