7-[(2,4-dimethoxyphenyl)methyl]-1,3-bis(phenylmethoxymethyl)-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 7-[(2,4-dimethoxyphenyl)methyl]-1,3-bis(phenylmethoxymethyl)-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine-2,4-dione Openeye Name: 1,3-bis(benzyloxymethyl)-5-(4-benzyloxyphenyl)-7-[(2,4-dimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-dione CAS Name: 7-[(2,4-dimethoxyphenyl)methyl]-1,3-bis(phenylmethoxymethyl)-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine-2,4-dione IUPAC Name: 7-[(2,4-dimethoxyphenyl)methyl]-1,3-bis(phenylmethoxymethyl)-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidine-2,4-dione Traditional Name: 1,3-bis(benzoxymethyl)-5-(4-benzoxyphenyl)-7-(2,4-dimethoxybenzyl)pyrrolo[2,3-d]pyrimidine-2,4-quinone Formula: C44H41N3O7 MolecularWeight: 723.81224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C=C(C3=C2N(C(=O)N(C3=O)COCC4=CC=CC=C4)COCC5=CC=CC=C5)C6=CC=C(C=C6)OCC7=CC=CC=C7)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C=C(C3=C2N(C(=O)N(C3=O)COCC4=CC=CC=C4)COCC5=CC=CC=C5)C6=CC=C(C=C6)OCC7=CC=CC=C7)OC

InChI

InChI=1S/C44H41N3O7/c1-50-38-23-20-36(40(24-38)51-2)25-45-26-39(35-18-21-37(22-19-35)54-29-34-16-10-5-11-17-34)41-42(45)46(30-52-27-32-12-6-3-7-13-32)44(49)47(43(41)48)31-53-28-33-14-8-4-9-15-33/h3-24,26H,25,27-31H2,1-2H3