1-(3-methoxyphenyl)-3-[4-oxidanylidene-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[4-oxidanylidene-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[4-oxo-1-(2-thienylmethyl)-3H-phthalazin-6-yl]urea CAS Name: 1-(3-methoxyphenyl)-3-[4-oxo-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[4-oxo-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]urea Traditional Name: 1-[4-keto-1-(2-thenyl)-3H-phthalazin-6-yl]-3-(3-methoxyphenyl)urea Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c1-28-15-5-2-4-13(10-15)22-21(27)23-14-7-8-17-18(11-14)20(26)25-24-19(17)12-16-6-3-9-29-16/h2-11H,12H2,1H3,(H,25,26)(H2,22,23,27)