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

Systemtic Name: 1-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[2-hydroxy-3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(tetrahydrofurfuryl)thiourea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NCC(CNC2=NNC(=O)C3=CC=CC=C32)O

Isomeric SMILES

C1CC(OC1)CNC(=S)NCC(CNC2=NNC(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C17H23N5O3S/c23-11(9-19-17(26)20-10-12-4-3-7-25-12)8-18-15-13-5-1-2-6-14(13)16(24)22-21-15/h1-2,5-6,11-12,23H,3-4,7-10H2,(H,18,21)(H,22,24)(H2,19,20,26)