4-(pyridin-2-ylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione

Systemtic Name: 4-(pyridin-2-ylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Openeye Name: 4-(2-pyridylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione CAS Name: 4-(2-pyridinylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione IUPAC Name: 4-(pyridin-2-ylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Traditional Name: 4-(2-pyridylmethyl)-1,3,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NC(=S)N2)CC3=CC=CC=N3

Isomeric SMILES

C1CN=C2C1=C(NC(=S)N2)CC3=CC=CC=N3

InChI

InChI=1S/C12H12N4S/c17-12-15-10(7-8-3-1-2-5-13-8)9-4-6-14-11(9)16-12/h1-3,5H,4,6-7H2,(H2,14,15,16,17)