1-(4-butoxyphenyl)-3-[2-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-pyrimidin-4-yl]thiourea

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-pyrimidin-4-yl]thiourea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(2-hydrazino-2-oxo-ethyl)sulfanyl-6-methyl-pyrimidin-4-yl]thiourea CAS Name: 1-(4-butoxyphenyl)-3-[2-[(2-hydrazinyl-2-oxoethyl)thio]-6-methyl-4-pyrimidinyl]thiourea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-methylpyrimidin-4-yl]thiourea Traditional Name: 1-(4-butoxyphenyl)-3-[2-[(2-hydrazino-2-keto-ethyl)thio]-6-methyl-pyrimidin-4-yl]thiourea Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)NN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)NN

InChI

InChI=1S/C18H24N6O2S2/c1-3-4-9-26-14-7-5-13(6-8-14)21-17(27)22-15-10-12(2)20-18(23-15)28-11-16(25)24-19/h5-8,10H,3-4,9,11,19H2,1-2H3,(H,24,25)(H2,20,21,22,23,27)