N-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2,5-dimethyl-3-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]pyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-phthalazine-1-carboxamide Formula: C32H26N6O4S MolecularWeight: 590.65164

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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)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C32H26N6O4S/c1-19-17-25(20(2)38(19)35-29(40)28-22-13-7-8-14-23(22)30(41)36(3)34-28)27(39)18-43-32-33-26-16-10-9-15-24(26)31(42)37(32)21-11-5-4-6-12-21/h4-17H,18H2,1-3H3,(H,35,40)