4-(2-azanyl-7H-purin-6-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-azanyl-7H-purin-6-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-amino-7H-purin-6-yl)-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-(2-amino-7H-purin-6-yl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-amino-7H-purin-6-yl)-N-benzylpiperazine-1-carbothioamide Traditional Name: 4-(2-amino-7H-purin-6-yl)-N-benzyl-piperazine-1-carbothioamide Formula: C17H20N8S MolecularWeight: 368.4593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N8S/c18-16-22-14-13(20-11-21-14)15(23-16)24-6-8-25(9-7-24)17(26)19-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,19,26)(H3,18,20,21,22,23)