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

Systemtic Name: 2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-heptan-2-yl-ethanamide Openeye Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(1-methylhexyl)acetamide CAS Name: 2-[(7-tert-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-heptan-2-ylacetamide IUPAC Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-heptan-2-ylacetamide Traditional Name: 2-[(7-tert-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-(1-methylhexyl)acetamide Formula: C21H33N5O3S MolecularWeight: 435.58342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C(C)(C)C

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C(C)(C)C

InChI

InChI=1S/C21H33N5O3S/c1-8-9-10-11-13(2)22-14(27)12-30-17-15-16(23-19(24-17)21(3,4)5)25(6)20(29)26(7)18(15)28/h13H,8-12H2,1-7H3,(H,22,27)