1-phthalazin-5-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea

Systemtic Name: 1-phthalazin-5-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea Openeye Name: 1-phthalazin-5-yl-3-(1,1,3,3-tetramethylbutyl)thiourea CAS Name: 1-(5-phthalazinyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea IUPAC Name: 1-phthalazin-5-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea Traditional Name: 1-phthalazin-5-yl-3-(1,1,3,3-tetramethylbutyl)thiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NC1=CC=CC2=CN=NC=C21

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NC1=CC=CC2=CN=NC=C21

InChI

InChI=1S/C17H24N4S/c1-16(2,3)11-17(4,5)21-15(22)20-14-8-6-7-12-9-18-19-10-13(12)14/h6-10H,11H2,1-5H3,(H2,20,21,22)