2,4-bis(7a-methyl-10-oxidanylidene-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis(7a-methyl-10-oxidanylidene-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate Openeye Name: 2,4-bis(7a-methyl-10-oxo-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate CAS Name: 2,4-bis(7a-methyl-10-oxo-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate IUPAC Name: 2,4-bis(7a-methyl-10-oxo-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate Traditional Name: 2,4-bis(10-keto-7a-methyl-8,9-dihydro-7H-pyrrolo[1,2-a]perimidin-4-yl)cyclobutane-1,3-diolate Formula: C34H30N4O4-2 MolecularWeight: 558.6264

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N1C3=CC=CC4=C(C=CC(=C43)N2)C5C(C(C5[O-])C6=C7C=CC=C8C7=C(C=C6)NC9(N8C(=O)CC9)C)[O-]

Isomeric SMILES

CC12CCC(=O)N1C3=CC=CC4=C(C=CC(=C43)N2)C5C(C(C5[O-])C6=C7C=CC=C8C7=C(C=C6)NC9(N8C(=O)CC9)C)[O-]

InChI

InChI=1S/C34H30N4O4/c1-33-15-13-25(39)37(33)23-7-3-5-17-19(9-11-21(35-33)27(17)23)29-31(41)30(32(29)42)20-10-12-22-28-18(20)6-4-8-24(28)38-26(40)14-16-34(38,2)36-22/h3-12,29-32,35-36H,13-16H2,1-2H3/q-2