5-[3,4-bis[9-(phenylmethyl)purin-6-yl]phenyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[3,4-bis[9-(phenylmethyl)purin-6-yl]phenyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[3,4-bis(9-benzylpurin-6-yl)phenyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[3,4-bis[9-(phenylmethyl)-6-purinyl]phenyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[3,4-bis(9-benzylpurin-6-yl)phenyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[3,4-bis(9-benzylpurin-6-yl)phenyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C36H28N10O2 MolecularWeight: 632.67332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C2=CC(=C(C=C2)C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5)C6=C7C(=NC=N6)N(C=N7)CC8=CC=CC=C8

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)C2=CC(=C(C=C2)C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5)C6=C7C(=NC=N6)N(C=N7)CC8=CC=CC=C8

InChI

InChI=1S/C36H28N10O2/c1-43-18-28(35(47)44(2)36(43)48)25-13-14-26(29-31-33(39-19-37-29)45(21-41-31)16-23-9-5-3-6-10-23)27(15-25)30-32-34(40-20-38-30)46(22-42-32)17-24-11-7-4-8-12-24/h3-15,18-22H,16-17H2,1-2H3