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

Systemtic Name: 4-(7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(7H-purin-6-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(7H-purin-6-yl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(7H-purin-6-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C16H18N8S MolecularWeight: 354.43272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N8S/c25-16(18-9-12-2-1-3-17-8-12)24-6-4-23(5-7-24)15-13-14(20-10-19-13)21-11-22-15/h1-3,8,10-11H,4-7,9H2,(H,18,25)(H,19,20,21,22)