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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SCC3=CC(=O)OC4=C3C=CC(=C4)CC)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SCC3=CC(=O)OC4=C3C=CC(=C4)CC)C(=O)N(C1=O)C

InChI

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