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

Systemtic Name: 4-azanyl-6-[3-[(4-fluorophenyl)methylamino]-2-oxidanyl-propyl]imino-1,3-dimethyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-[3-[(4-fluorophenyl)methylamino]-2-hydroxy-propyl]imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropyl]imino-1,3-dimethyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-[3-[(4-fluorophenyl)methylamino]-2-hydroxypropyl]imino-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-amino-6-[3-[(4-fluorobenzyl)amino]-2-hydroxy-propyl]imino-1,3-dimethyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C17H21FN6OS MolecularWeight: 376.451643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=NCC(CNCC2=CC=C(C=C2)F)O)N(C1=S)C)C#N)N

Isomeric SMILES

CN1C(=C(C(=NCC(CNCC2=CC=C(C=C2)F)O)N(C1=S)C)C#N)N

InChI

InChI=1S/C17H21FN6OS/c1-23-15(20)14(7-19)16(24(2)17(23)26)22-10-13(25)9-21-8-11-3-5-12(18)6-4-11/h3-6,13,21,25H,8-10,20H2,1-2H3