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

Systemtic Name: 2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethyl-propanamide CAS Name: 2-[(7-tert-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenethylpropanamide IUPAC Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylpropanamide Traditional Name: 2-[(7-tert-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenethyl-propionamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C23H29N5O3S/c1-14(18(29)24-13-12-15-10-8-7-9-11-15)32-19-16-17(25-21(26-19)23(2,3)4)27(5)22(31)28(6)20(16)30/h7-11,14H,12-13H2,1-6H3,(H,24,29)