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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(3-propan-2-yloxypropyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(3-isopropoxypropyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(3-propan-2-yloxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(3-propan-2-yloxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(3-isopropoxypropyl)piperazine-1-carbothioamide Formula: C18H29N7O3S MolecularWeight: 423.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=S)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)OCCCNC(=S)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H29N7O3S/c1-12(2)28-11-5-6-19-17(29)25-9-7-24(8-10-25)16-20-13-14(21-16)22(3)18(27)23(4)15(13)26/h12H,5-11H2,1-4H3,(H,19,29)(H,20,21)