1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridyl)thiourea CAS Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(3-pyridyl)thiourea Formula: C17H18N6OS MolecularWeight: 354.42942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C17H18N6OS/c24-16-14-7-2-1-6-13(14)15(22-23-16)19-9-4-10-20-17(25)21-12-5-3-8-18-11-12/h1-3,5-8,11H,4,9-10H2,(H,19,22)(H,23,24)(H2,20,21,25)