1-ethyl-3-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoylamino]urea

Systemtic Name: 1-ethyl-3-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoylamino]urea Openeye Name: 1-ethyl-3-[[2-[3-[(4-methylthiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetyl]amino]urea CAS Name: 1-ethyl-3-[[2-[3-[(4-methyl-2-thiazolyl)methyl]-4-oxo-1-phthalazinyl]-1-oxoethyl]amino]urea IUPAC Name: 1-ethyl-3-[[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetyl]amino]urea Traditional Name: 1-ethyl-3-[[2-[4-keto-3-[(4-methylthiazol-2-yl)methyl]phthalazin-1-yl]acetyl]amino]urea Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NNC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C

Isomeric SMILES

CCNC(=O)NNC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C

InChI

InChI=1S/C18H20N6O3S/c1-3-19-18(27)22-21-15(25)8-14-12-6-4-5-7-13(12)17(26)24(23-14)9-16-20-11(2)10-28-16/h4-7,10H,3,8-9H2,1-2H3,(H,21,25)(H2,19,22,27)