1,3-dimethyl-7-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]purine-2,6-dione Traditional Name: 7-[2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]-1,3-dimethyl-xanthine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C)C

InChI

InChI=1S/C21H23N5O3/c1-21(2)14-8-6-7-9-15(14)23(3)16(21)10-13(27)11-26-12-22-18-17(26)19(28)25(5)20(29)24(18)4/h6-10,12H,11H2,1-5H3