2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(2-diethylaminoethylamino)-8H-pteridin-7-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-(2-diethylaminoethylamino)-8H-pteridin-7-one Openeye Name: 4-(2-diethylaminoethylamino)-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-(2-diethylaminoethylamino)-2-[(2,3-difluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-(2-diethylaminoethylamino)-2-[(2,3-difluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-(2-diethylaminoethylamino)-2-[(2,3-difluorobenzyl)thio]-8H-pteridin-7-one Formula: C19H22F2N6OS MolecularWeight: 420.479386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C19H22F2N6OS/c1-3-27(4-2)9-8-22-17-16-18(24-14(28)10-23-16)26-19(25-17)29-11-12-6-5-7-13(20)15(12)21/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,22,24,25,26,28)