1-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-pyridin-3-yl-urea Openeye Name: 1-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]-3-(3-pyridyl)urea CAS Name: 1-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]-3-(3-pyridinyl)urea IUPAC Name: 1-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-3-pyridin-3-ylurea Traditional Name: 1-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]-3-(3-pyridyl)urea Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

InChI

InChI=1S/C19H15N5O2S/c25-18-16-9-13(21-19(26)22-14-2-1-6-20-10-14)3-4-15(16)17(23-24-18)8-12-5-7-27-11-12/h1-7,9-11H,8H2,(H,24,25)(H2,21,22,26)