4-[4-[2-azanyl-6-(diethylamino)-4-oxidanylidene-3-[(prop-2-ynylamino)methyl]-2H-quinazolin-1-yl]phenyl]butanal

Systemtic Name: 4-[4-[2-azanyl-6-(diethylamino)-4-oxidanylidene-3-[(prop-2-ynylamino)methyl]-2H-quinazolin-1-yl]phenyl]butanal Openeye Name: 4-[4-[2-amino-6-(diethylamino)-4-oxo-3-[(prop-2-ynylamino)methyl]-2H-quinazolin-1-yl]phenyl]butanal CAS Name: 4-[4-[2-amino-6-(diethylamino)-4-oxo-3-[(prop-2-ynylamino)methyl]-2H-quinazolin-1-yl]phenyl]butanal IUPAC Name: 4-[4-[2-amino-6-(diethylamino)-4-oxo-3-[(prop-2-ynylamino)methyl]-2H-quinazolin-1-yl]phenyl]butanal Traditional Name: 4-[4-[2-amino-6-(diethylamino)-4-keto-3-[(propargylamino)methyl]-2H-quinazolin-1-yl]phenyl]butyraldehyde Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C(N(C2=O)CNCC#C)N)C3=CC=C(C=C3)CCCC=O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C(N(C2=O)CNCC#C)N)C3=CC=C(C=C3)CCCC=O

InChI

InChI=1S/C26H33N5O2/c1-4-16-28-19-30-25(33)23-18-22(29(5-2)6-3)14-15-24(23)31(26(30)27)21-12-10-20(11-13-21)9-7-8-17-32/h1,10-15,17-18,26,28H,5-9,16,19,27H2,2-3H3