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

Systemtic Name: 2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N,N-dimethyl-ethanamide Openeye Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N,N-dimethyl-acetamide CAS Name: 2-[(7-hexyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N,N-dimethylacetamide IUPAC Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N,N-dimethylacetamide Traditional Name: 2-[(7-hexyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N,N-dimethyl-acetamide Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCC(=O)N(C)C)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCC(=O)N(C)C)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C20H31N5O3S/c1-6-8-9-10-11-14-21-17-16(18(22-14)29-13-15(26)23(3)4)19(27)24(5)20(28)25(17)12-7-2/h6-13H2,1-5H3