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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-propan-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-propan-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-isopropyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenethyl-acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H25N5O3S/c1-13(2)17-23-18-16(20(28)26(4)21(29)25(18)3)19(24-17)30-12-15(27)22-11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,22,27)