4-azanyl-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 4-azanyl-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4-amino-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4-amino-7-[(4-fluorophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4-amino-7-(4-fluorobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C14H12FN5S MolecularWeight: 301.341983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C3=C2N=CN=C3N)C(=S)N)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C3=C2N=CN=C3N)C(=S)N)F

InChI

InChI=1S/C14H12FN5S/c15-9-3-1-8(2-4-9)5-20-6-10(13(17)21)11-12(16)18-7-19-14(11)20/h1-4,6-7H,5H2,(H2,17,21)(H2,16,18,19)