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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(2-diethylaminoethyl)benzamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O2/c1-4-14-31(17-18-7-12-22-21(16-18)24(33)29-25(26)28-22)20-10-8-19(9-11-20)23(32)27-13-15-30(5-2)6-3/h1,7-12,16H,5-6,13-15,17H2,2-3H3,(H,27,32)(H3,26,28,29,33)