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

Systemtic Name: 5-(2-diethylaminoethylsulfanyl)-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-(2-diethylaminoethylsulfanyl)-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(2-diethylaminoethylthio)-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-diethylaminoethylsulfanyl)-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(2-diethylaminoethylthio)-7-(2-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3OC

Isomeric SMILES

CCN(CC)CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N5O3S/c1-6-26(7-2)12-13-30-19-16-18(24(3)21(28)25(4)20(16)27)22-17(23-19)14-10-8-9-11-15(14)29-5/h8-11H,6-7,12-13H2,1-5H3