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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[2-(3-methylphenoxy)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[2-(3-methylphenoxy)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[2-(3-methylphenoxy)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[2-(3-methylphenoxy)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-[2-(3-methylphenoxy)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C21H26N4O3S/c1-13-8-7-9-14(12-13)28-10-11-29-17-15-16(22-19(23-17)21(2,3)4)24(5)20(27)25(6)18(15)26/h7-9,12H,10-11H2,1-6H3