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

Systemtic Name: 1-(phenylmethyl)-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-benzyl-6-isopropyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(phenylmethyl)-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-benzyl-6-propan-2-yl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-benzyl-6-isopropyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS/c1-11(2)19-9-13-14(17-10-19)20(16(22)18-15(13)21)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,21,22)/p+1