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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H29N5O3S/c1-24(2,3)22-25-18-17(21(31)28(5)23(32)27(18)4)19(26-22)33-14-15-8-10-16(11-9-15)20(30)29-12-6-7-13-29/h8-11H,6-7,12-14H2,1-5H3