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

Systemtic Name: 4-azanyl-7-[3-(4-fluorophenyl)propyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4-amino-7-[3-(4-fluorophenyl)propyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4-amino-7-[3-(4-fluorophenyl)propyl]-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-7-[3-(4-fluorophenyl)propyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4-amino-7-[3-(4-fluorophenyl)propyl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C16H16FN5S MolecularWeight: 329.395143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCN2C=C(C3=C2N=CN=C3N)C(=S)N)F

Isomeric SMILES

C1=CC(=CC=C1CCCN2C=C(C3=C2N=CN=C3N)C(=S)N)F

InChI

InChI=1S/C16H16FN5S/c17-11-5-3-10(4-6-11)2-1-7-22-8-12(15(19)23)13-14(18)20-9-21-16(13)22/h3-6,8-9H,1-2,7H2,(H2,19,23)(H2,18,20,21)