N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[2-(butylamino)ethyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

Isomeric SMILES

CCCCNCCNC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

InChI

InChI=1S/C26H31N5O2/c1-4-6-13-27-14-15-28-25(32)21-8-10-22(11-9-21)31(16-5-2)18-20-7-12-24-23(17-20)26(33)30-19(3)29-24/h2,7-12,17,27H,4,6,13-16,18H2,1,3H3,(H,28,32)(H,29,30,33)