2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoic acid

Systemtic Name: 2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylethanoic acid Openeye Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid CAS Name: 2-[(7-hexyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid Traditional Name: 2-[(7-hexyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetic acid Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S/c1-4-6-7-8-9-12-19-15-14(16(20-12)27-11-13(23)24)17(25)21(3)18(26)22(15)10-5-2/h4-11H2,1-3H3,(H,23,24)