2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate Openeye Name: 2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate CAS Name: 2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate IUPAC Name: 2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate Traditional Name: 2,4-bis(1,3-dimethyl-2H-perimidin-4-yl)cyclobutane-1,3-diolate Formula: C30H30N4O2-2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2=C(C=CC3=C2C1=CC=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7N(CN6C)C)C=C5)[O-])C

Isomeric SMILES

CN1CN(C2=C(C=CC3=C2C1=CC=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7N(CN6C)C)C=C5)[O-])C

InChI

InChI=1S/C30H30N4O2/c1-31-15-33(3)27-19(13-11-17-7-5-9-21(31)23(17)27)25-29(35)26(30(25)36)20-14-12-18-8-6-10-22-24(18)28(20)34(4)16-32(22)2/h5-14,25-26,29-30H,15-16H2,1-4H3/q-2