1-butyl-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Openeye Name: 1-butyl-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-butyl-3-[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-butyl-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC=N2)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC=N2)OC

InChI

InChI=1S/C16H21N5O3S2/c1-3-4-9-17-16(25)20-12-5-7-13(8-6-12)26(22,23)21-14-10-15(24-2)19-11-18-14/h5-8,10-11H,3-4,9H2,1-2H3,(H2,17,20,25)(H,18,19,21)