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

Systemtic Name: 6-propan-2-yl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-isopropyl-1-(3-pyridylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-propan-2-yl-1-(3-pyridinylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-propan-2-yl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-isopropyl-1-(3-pyridylmethyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)[NH+]1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C15H19N5OS/c1-10(2)19-8-12-13(17-9-19)20(15(22)18-14(12)21)7-11-4-3-5-16-6-11/h3-6,10,17H,7-9H2,1-2H3,(H,18,21,22)/p+1