7-tert-butyl-1,3-dimethyl-5-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)C(C)C

InChI

InChI=1S/C26H30N4O4S/c1-13(2)16-11-17-15(10-19(31)34-18(17)9-14(16)3)12-35-22-20-21(27-24(28-22)26(4,5)6)29(7)25(33)30(8)23(20)32/h9-11,13H,12H2,1-8H3