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

Systemtic Name: 5-butylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H24N4O3S/c1-5-7-12-28-18-15-17(23(3)20(26)24(4)19(15)25)21-16(22-18)13-8-10-14(11-9-13)27-6-2/h8-11H,5-7,12H2,1-4H3