N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-purin-6-yl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-purin-6-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-purin-6-yl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-purin-6-yl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(7H-purin-6-yl)piperazine-1-carbothioamide Traditional Name: N-piperonyl-4-(7H-purin-6-yl)piperazine-1-carbothioamide Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H19N7O2S/c28-18(19-8-12-1-2-13-14(7-12)27-11-26-13)25-5-3-24(4-6-25)17-15-16(21-9-20-15)22-10-23-17/h1-2,7,9-10H,3-6,8,11H2,(H,19,28)(H,20,21,22,23)