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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-nitrophenyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-nitrophenyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-[1-(3-nitrophenyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C20H23N5O4S/c1-11(12-8-7-9-13(10-12)25(28)29)30-16-14-15(21-18(22-16)20(2,3)4)23(5)19(27)24(6)17(14)26/h7-11H,1-6H3