4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C17H21N7O3S MolecularWeight: 403.45874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NCC4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C17H21N7O3S/c1-21-13-12(14(25)22(2)17(21)26)19-15(20-13)23-5-7-24(8-6-23)16(28)18-10-11-4-3-9-27-11/h3-4,9H,5-8,10H2,1-2H3,(H,18,28)(H,19,20)