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

Systemtic Name: N-(phenylmethyl)-4-(7H-purin-6-yl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7H-purin-6-yl)piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(7H-purin-6-yl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7H-purin-6-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7H-purin-6-yl)piperazine-1-carbothioamide Formula: C17H19N7S MolecularWeight: 353.44466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7S/c25-17(18-10-13-4-2-1-3-5-13)24-8-6-23(7-9-24)16-14-15(20-11-19-14)21-12-22-16/h1-5,11-12H,6-10H2,(H,18,25)(H,19,20,21,22)