1-(furan-2-ylmethyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(2-furfuryl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H19N5O2S/c23-16-14-7-2-1-6-13(14)15(21-22-16)18-8-4-9-19-17(25)20-11-12-5-3-10-24-12/h1-3,5-7,10H,4,8-9,11H2,(H,18,21)(H,22,23)(H2,19,20,25)