1-butyl-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]thiourea

Systemtic Name: 1-butyl-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]thiourea Openeye Name: 1-butyl-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]thiourea CAS Name: 1-butyl-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]thiourea IUPAC Name: 1-butyl-3-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]thiourea Traditional Name: 1-butyl-3-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]thiourea Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C(=CN=C(C1=O)C)CO

Isomeric SMILES

CCCCNC(=S)NNC=C1C(=CN=C(C1=O)C)CO

InChI

InChI=1S/C13H20N4O2S/c1-3-4-5-14-13(20)17-16-7-11-10(8-18)6-15-9(2)12(11)19/h6-7,16,18H,3-5,8H2,1-2H3,(H2,14,17,20)