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

Systemtic Name: 1-phenethyl-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-phenethyl-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-phenethyl-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-phenethyl-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-phenethyl-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-2-9-20-11-14-15(18-12-20)21(17(23)19-16(14)22)10-8-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,22,23)/p+1