N-(2-diethylaminoethyl)-4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzamide Formula: C30H38N6O3 MolecularWeight: 530.66112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O3/c1-7-17-36(23-13-11-22(12-14-23)26(37)31-16-18-35(8-2)9-3)20-21-10-15-25-24(19-21)27(38)33-29(32-25)34-28(39)30(4,5)6/h1,10-15,19H,8-9,16-18,20H2,2-6H3,(H,31,37)(H2,32,33,34,38,39)