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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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