N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)N

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)N

InChI

InChI=1S/C19H18N6O2S/c1-10-8-14(15-9-28-19(20)21-15)11(2)25(10)23-17(26)16-12-6-4-5-7-13(12)18(27)24(3)22-16/h4-9H,1-3H3,(H2,20,21)(H,23,26)