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

Systemtic Name: 5-cyclopentylsulfanyl-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-cyclopentylsulfanyl-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(cyclopentylthio)-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-cyclopentylsulfanyl-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(cyclopentylthio)-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SC4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SC4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H22N4O3S/c1-23-17-15(19(25)24(2)20(23)26)18(28-12-8-4-5-9-12)22-16(21-17)13-10-6-7-11-14(13)27-3/h6-7,10-12H,4-5,8-9H2,1-3H3