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

Systemtic Name: 5-cyclopentylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-cyclopentylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(cyclopentylthio)-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-cyclopentylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(cyclopentylthio)-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H24N4O3S/c1-4-28-14-11-9-13(10-12-14)17-22-18-16(20(26)25(3)21(27)24(18)2)19(23-17)29-15-7-5-6-8-15/h9-12,15H,4-8H2,1-3H3