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

Systemtic Name: 7-tert-butyl-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[(2-ethoxyphenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(2-ethoxybenzyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C21H26N4O3S/c1-7-28-14-11-9-8-10-13(14)12-29-17-15-16(22-19(23-17)21(2,3)4)24(5)20(27)25(6)18(15)26/h8-11H,7,12H2,1-6H3