2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-propan-2-yl-propanamide

Systemtic Name: 2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-isopropyl-propanamide CAS Name: 2-[(7-hexyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-propan-2-ylpropanamide IUPAC Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-propan-2-ylpropanamide Traditional Name: 2-[(7-hexyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-isopropyl-propionamide Formula: C22H35N5O3S MolecularWeight: 449.61

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SC(C)C(=O)NC(C)C)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SC(C)C(=O)NC(C)C)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C22H35N5O3S/c1-7-9-10-11-12-16-24-18-17(21(29)26(6)22(30)27(18)13-8-2)20(25-16)31-15(5)19(28)23-14(3)4/h14-15H,7-13H2,1-6H3,(H,23,28)