5-azanyl-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione; ethanol

Systemtic Name: 5-azanyl-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione; ethanol Openeye Name: 5-amino-1,3-ditrityl-pyrimidine-2,4-dione; ethanol CAS Name: 5-amino-1,3-bis(triphenylmethyl)pyrimidine-2,4-dione; ethanol IUPAC Name: 5-amino-1,3-ditritylpyrimidine-2,4-dione; ethanol Traditional Name: 5-amino-1,3-ditrityl-pyrimidine-2,4-quinone; ethanol Formula: C44H39N3O3 MolecularWeight: 657.79876

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=O)N(C4=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N

Isomeric SMILES

CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=O)N(C4=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N

InChI

InChI=1S/C42H33N3O2.C2H6O/c43-38-31-44(41(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)40(47)45(39(38)46)42(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37;1-2-3/h1-31H,43H2;3H,2H2,1H3