5-cyclopentylsulfanyl-7-(3,5-dimethylphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-cyclopentylsulfanyl-7-(3,5-dimethylphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-cyclopentylsulfanyl-7-(3,5-dimethylphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(cyclopentylthio)-7-(3,5-dimethylphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-cyclopentylsulfanyl-7-(3,5-dimethylphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(cyclopentylthio)-7-(3,5-dimethylphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C21H24N4O2S/c1-12-9-13(2)11-14(10-12)17-22-18-16(20(26)25(4)21(27)24(18)3)19(23-17)28-15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3