4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(9-ethylcarbazol-3-yl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(9-ethylcarbazol-3-yl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(9-ethylcarbazol-3-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(9-ethyl-3-carbazolyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(9-ethylcarbazol-3-yl)butyramide Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C51

InChI

InChI=1S/C25H26N6O3/c1-4-31-19-9-6-5-8-17(19)18-14-16(11-12-20(18)31)27-21(32)10-7-13-30-15-26-23-22(30)24(33)29(3)25(34)28(23)2/h5-6,8-9,11-12,14-15H,4,7,10,13H2,1-3H3,(H,27,32)