2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-propyl-3,7-dihydropurin-6-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-propyl-3,7-dihydropurin-6-one Openeye Name: 2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1-propyl-3,7-dihydropurin-6-one CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-propyl-3,7-dihydropurin-6-one IUPAC Name: 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-propyl-3,7-dihydropurin-6-one Traditional Name: 2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-propyl-3,7-dihydropurin-6-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C(C1=O)NC=N3

Isomeric SMILES

CCCN1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C(C1=O)NC=N3

InChI

InChI=1S/C22H30N4O2/c1-8-9-26-19(25-18-16(20(26)28)23-12-24-18)13-10-14(21(2,3)4)17(27)15(11-13)22(5,6)7/h10-12,25H,8-9H2,1-7H3,(H,23,24)