8-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(2-morpholin-4-ylethyl)-3-propyl-9H-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(2-morpholin-4-ylethyl)-3-propyl-9H-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-7-(2-morpholinoethyl)-3-propyl-9H-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-7-[2-(4-morpholinyl)ethyl]-3-propyl-9H-purine-2,6-dione IUPAC Name: 8-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-7-(2-morpholin-4-ylethyl)-3-propyl-9H-purine-2,6-dione Traditional Name: 8-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-7-(2-morpholinoethyl)-3-propyl-9H-purine-2,6-quinone Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=C3C=C(C(=O)C(=C3)C)C)N2)CCN4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=C3C=C(C(=O)C(=C3)C)C)N2)CCN4CCOCC4

InChI

InChI=1S/C22H29N5O4/c1-4-5-27-20-17(21(29)24-22(27)30)26(7-6-25-8-10-31-11-9-25)19(23-20)16-12-14(2)18(28)15(3)13-16/h12-13,23H,4-11H2,1-3H3,(H,24,29,30)