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

Systemtic Name: 2-[7-tert-butyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-tert-butyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(7-tert-butyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: 2-(7-tert-butyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-tert-butyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenyl-acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SCC(=O)NC3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SCC(=O)NC3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C22H27N5O3S/c1-6-12-27-17-16(19(29)26(5)21(27)30)18(25-20(24-17)22(2,3)4)31-13-15(28)23-14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3,(H,23,28)