6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-(1-adamantyl)-5-(4-methoxyphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29N3O3/c1-26-20-14-28(25-11-15-8-16(12-25)10-17(9-15)13-25)22(18-4-6-19(31-3)7-5-18)21(20)23(29)27(2)24(26)30/h4-7,14-17H,8-13H2,1-3H3