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

Systemtic Name: 2,6-ditert-butyl-4-(6-propoxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(6-propoxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(6-propoxy-3,7-dihydropurin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(6-propoxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(6-propoxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C1NC=N3

Isomeric SMILES

CCCOC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C1NC=N3

InChI

InChI=1S/C22H30N4O2/c1-8-9-28-20-16-19(24-12-23-16)25-18(26-20)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)