5-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl carbamimidothioate

Systemtic Name: 5-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl carbamimidothioate Openeye Name: 2-[5-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)pentyl]isothiourea CAS Name: carbamimidothioic acid 5-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)pentyl ester IUPAC Name: 5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl carbamimidothioate Traditional Name: 2-[5-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)pentyl]isothiourea Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CCCCCSC(=N)N)C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CCCCCSC(=N)N)C

InChI

InChI=1S/C12H20N4O2S/c1-9-8-10(17)15(2)12(18)16(9)6-4-3-5-7-19-11(13)14/h8H,3-7H2,1-2H3,(H3,13,14)