N-[(3-nitrophenyl)methyl]-4-[[4-oxidanylidene-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[[4-oxidanylidene-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(3-nitrophenyl)methyl]-4-[[4-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(3-nitrophenyl)methyl]-4-[[4-oxo-2-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(3-nitrophenyl)methyl]-4-[[4-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide Traditional Name: 4-[[4-keto-2-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C31H25N7O5S MolecularWeight: 607.6391

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CSC3=NC=CC(=O)N3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CSC3=NC=CC(=O)N3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H25N7O5S/c1-2-14-37(23-9-7-22(8-10-23)29(40)33-17-20-4-3-5-24(15-20)38(42)43)18-21-6-11-26-25(16-21)30(41)35-27(34-26)19-44-31-32-13-12-28(39)36-31/h1,3-13,15-16H,14,17-19H2,(H,33,40)(H,32,36,39)(H,34,35,41)