4-(2-azanyl-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-azanyl-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-amino-7H-purin-6-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2-amino-7H-purin-6-yl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-amino-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-amino-7H-purin-6-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C16H19N9S MolecularWeight: 369.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C16H19N9S/c17-15-22-13-12(20-10-21-13)14(23-15)24-4-6-25(7-5-24)16(26)19-9-11-2-1-3-18-8-11/h1-3,8,10H,4-7,9H2,(H,19,26)(H3,17,20,21,22,23)