6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-cyclohexyl-1-(3-pyridylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-cyclohexyl-1-(3-pyridinylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-cyclohexyl-1-(3-pyridylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

InChI

InChI=1S/C18H23N5OS/c24-17-15-11-22(14-6-2-1-3-7-14)12-20-16(15)23(18(25)21-17)10-13-5-4-8-19-9-13/h4-5,8-9,14,20H,1-3,6-7,10-12H2,(H,21,24,25)/p+1