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

Systemtic Name: 5-(2-diethylaminoethylsulfanyl)-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-(2-diethylaminoethylsulfanyl)-7-(4-ethoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(2-diethylaminoethylthio)-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-diethylaminoethylsulfanyl)-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(2-diethylaminoethylthio)-1,3-dimethyl-7-p-phenetyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3S/c1-6-27(7-2)13-14-31-20-17-19(25(4)22(29)26(5)21(17)28)23-18(24-20)15-9-11-16(12-10-15)30-8-3/h9-12H,6-8,13-14H2,1-5H3