4-[2-[2-[(4-fluorophenyl)methylamino]ethoxy]ethylamino]-1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[2-[(4-fluorophenyl)methylamino]ethoxy]ethylamino]-1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[2-[(4-fluorophenyl)methylamino]ethoxy]ethylamino]-1,3-dimethyl-6-oxo-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-[2-[2-[(4-fluorophenyl)methylamino]ethoxy]ethylamino]-1,3-dimethyl-6-oxo-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[2-[(4-fluorophenyl)methylamino]ethoxy]ethylamino]-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-[2-[2-[(4-fluorobenzyl)amino]ethoxy]ethylamino]-6-keto-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C18H22FN5O2S MolecularWeight: 391.462983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=S)C)C#N)NCCOCCNCC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=C(C(=O)N(C1=S)C)C#N)NCCOCCNCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FN5O2S/c1-23-16(15(11-20)17(25)24(2)18(23)27)22-8-10-26-9-7-21-12-13-3-5-14(19)6-4-13/h3-6,21-22H,7-10,12H2,1-2H3