2-(dihexylamino)-3-(4-fluorophenyl)-7-methylsulfanyl-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile

Systemtic Name: 2-(dihexylamino)-3-(4-fluorophenyl)-7-methylsulfanyl-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile Openeye Name: 2-(dihexylamino)-3-(4-fluorophenyl)-7-methylsulfanyl-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile CAS Name: 2-(dihexylamino)-3-(4-fluorophenyl)-7-(methylthio)-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile IUPAC Name: 2-(dihexylamino)-3-(4-fluorophenyl)-7-methylsulfanyl-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile Traditional Name: 2-(dihexylamino)-3-(4-fluorophenyl)-7-(methylthio)-4H-pyrido[4,3-d]pyrimidine-8-carbonitrile Formula: C27H36FN5S MolecularWeight: 481.671643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NC2=C(C(=NC=C2CN1C3=CC=C(C=C3)F)SC)C#N

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NC2=C(C(=NC=C2CN1C3=CC=C(C=C3)F)SC)C#N

InChI

InChI=1S/C27H36FN5S/c1-4-6-8-10-16-32(17-11-9-7-5-2)27-31-25-21(19-30-26(34-3)24(25)18-29)20-33(27)23-14-12-22(28)13-15-23/h12-15,19H,4-11,16-17,20H2,1-3H3