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

Systemtic Name: 4-(6-butoxy-3,7-dihydropurin-2-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(6-butoxy-3,7-dihydropurin-2-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-(6-butoxy-3,7-dihydropurin-2-ylidene)-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-(6-butoxy-3,7-dihydropurin-2-ylidene)-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-(6-butoxy-3,7-dihydropurin-2-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C1NC=N3

Isomeric SMILES

CCCCOC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=C1NC=N3

InChI

InChI=1S/C23H32N4O2/c1-8-9-10-29-21-17-20(25-13-24-17)26-19(27-21)14-11-15(22(2,3)4)18(28)16(12-14)23(5,6)7/h11-13,26H,8-10H2,1-7H3,(H,24,25)