methyl N-cyano-N'-[[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]isothiourea CAS Name: N-cyano-N'-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]carbamimidothioate Traditional Name: 1-cyano-3-[(2,4-diketo-5-methyl-1H-pyrimidin-6-yl)methyl]-2-methyl-isothiourea Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)NC1=O)CN=C(NC#N)SC

Isomeric SMILES

CC1=C(NC(=O)NC1=O)CN=C(NC#N)SC

InChI

InChI=1S/C9H11N5O2S/c1-5-6(13-8(16)14-7(5)15)3-11-9(17-2)12-4-10/h3H2,1-2H3,(H,11,12)(H2,13,14,15,16)