6-cyclopentyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-cyclopentyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclopentyl-1-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclopentyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclopentyl-1-phenethyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclopentyl-1-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C19H24N4OS/c24-18-16-12-22(15-8-4-5-9-15)13-20-17(16)23(19(25)21-18)11-10-14-6-2-1-3-7-14/h1-3,6-7,15,20H,4-5,8-13H2,(H,21,24,25)/p+1