2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(7-tert-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: 2-[(7-tert-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[(7-tert-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC(=O)NC(=O)NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC(=O)NC(=O)NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H26N6O4S/c1-22(2,3)19-25-16-15(18(30)28(5)21(32)27(16)4)17(26-19)33-12-14(29)24-20(31)23-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H2,23,24,29,31)