2-azanyl-6-[[[4-[4-(diethylamino)butanoyl]phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-azanyl-6-[[[4-[4-(diethylamino)butanoyl]phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[[4-[4-(diethylamino)butanoyl]-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[[4-[4-(diethylamino)-1-oxobutyl]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[[4-[4-(diethylamino)butanoyl]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[[4-[4-(diethylamino)butanoyl]-N-propargyl-anilino]methyl]-1H-quinazolin-4-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-4-15-31(18-19-9-14-23-22(17-19)25(33)29-26(27)28-23)21-12-10-20(11-13-21)24(32)8-7-16-30(5-2)6-3/h1,9-14,17H,5-8,15-16,18H2,2-3H3,(H3,27,28,29,33)