4-azanyl-6-[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxy-butyl]imino-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxy-butyl]imino-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-[4-benzyloxy-3-[(4-fluorophenyl)methylamino]butyl]imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxybutyl]imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-[3-[(4-fluorophenyl)methylamino]-4-phenylmethoxybutyl]imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-amino-6-[4-benzoxy-3-[(4-fluorobenzyl)amino]butyl]imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C25H29FN6OS MolecularWeight: 480.600763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=NCCC(COCC2=CC=CC=C2)NCC3=CC=C(C=C3)F)N(C1=S)C)C#N)N

Isomeric SMILES

CN1C(=C(C(=NCCC(COCC2=CC=CC=C2)NCC3=CC=C(C=C3)F)N(C1=S)C)C#N)N

InChI

InChI=1S/C25H29FN6OS/c1-31-23(28)22(14-27)24(32(2)25(31)34)29-13-12-21(17-33-16-19-6-4-3-5-7-19)30-15-18-8-10-20(26)11-9-18/h3-11,21,30H,12-13,15-17,28H2,1-2H3