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

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

Systemtic Name:2,4-bis(2,3-dihydro-1H-perimidin-4-yl)cyclobutane-1,3-diolate
Openeye Name:2,4-bis(2,3-dihydro-1H-perimidin-4-yl)cyclobutane-1,3-diolate
CAS Name:2,4-bis(2,3-dihydro-1H-perimidin-4-yl)cyclobutane-1,3-diolate
IUPAC Name:2,4-bis(2,3-dihydro-1H-perimidin-4-yl)cyclobutane-1,3-diolate
Traditional Name:2,4-bis(2,3-dihydro-1H-perimidin-4-yl)cyclobutane-1,3-diolate
Formula: C26H22N4O2-2
MolecularWeight: 422.47848
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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NCN6)C=C5)[O-])N1


Isomeric SMILES

C1NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NCN6)C=C5)[O-])N1


InChI

InChI=1S/C26H22N4O2/c31-25-21(15-9-7-13-3-1-5-17-19(13)23(15)29-11-27-17)26(32)22(25)16-10-8-14-4-2-6-18-20(14)24(16)30-12-28-18/h1-10,21-22,25-30H,11-12H2/q-2


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