(8Z)-1,3-dibutyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione

Systemtic Name: (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: (8Z)-7-benzyl-1,3-dibutyl-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: (8Z)-7-benzyl-1,3-dibutyl-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: (8Z)-7-benzyl-1,3-dibutyl-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-quinone Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=C3C=CC(=O)C(=C3)OC)N2)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(/C(=C\3/C=CC(=O)C(=C3)OC)/N2)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-4-6-15-29-25-23(26(33)30(27(29)34)16-7-5-2)31(18-19-11-9-8-10-12-19)24(28-25)20-13-14-21(32)22(17-20)35-3/h8-14,17,28H,4-7,15-16,18H2,1-3H3/b24-20-