1-[1-(3,3-dimethylbutyl)-4-oxidanylidene-3H-phthalazin-6-yl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[1-(3,3-dimethylbutyl)-4-oxidanylidene-3H-phthalazin-6-yl]-3-pyridin-3-yl-urea Openeye Name: 1-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-3-(3-pyridyl)urea CAS Name: 1-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-3-(3-pyridinyl)urea IUPAC Name: 1-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea Traditional Name: 1-[1-(3,3-dimethylbutyl)-4-keto-3H-phthalazin-6-yl]-3-(3-pyridyl)urea Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=NNC(=O)C2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CCC1=NNC(=O)C2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O2/c1-20(2,3)9-8-17-15-7-6-13(11-16(15)18(26)25-24-17)22-19(27)23-14-5-4-10-21-12-14/h4-7,10-12H,8-9H2,1-3H3,(H,25,26)(H2,22,23,27)