7-phenyl-1-prop-2-enyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 7-phenyl-1-prop-2-enyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-allyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 7-phenyl-1-prop-2-enyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 7-phenyl-1-prop-2-enyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-allyl-7-phenyl-2-thioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H12F6N4OS MolecularWeight: 434.358799

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=O)NC1=S)C(N=C(N2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=CCN1C2=C(C(=O)NC1=S)C(N=C(N2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F6N4OS/c1-2-8-27-12-10(13(28)25-14(27)29)15(16(18,19)20,17(21,22)23)26-11(24-12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,24,26)(H,25,28,29)