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

Systemtic Name: 6-phenethyl-1-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-allyl-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-phenethyl-1-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-phenethyl-1-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-allyl-6-phenethyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C[NH+](CN2)CCC3=CC=CC=C3)C(=O)NC1=S

Isomeric SMILES

C=CCN1C2=C(C[NH+](CN2)CCC3=CC=CC=C3)C(=O)NC1=S

InChI

InChI=1S/C17H20N4OS/c1-2-9-21-15-14(16(22)19-17(21)23)11-20(12-18-15)10-8-13-6-4-3-5-7-13/h2-7,18H,1,8-12H2,(H,19,22,23)/p+1