2-azanyl-6-[[[4-[3-(diethylamino)propanoyl]phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-azanyl-6-[[[4-[3-(diethylamino)propanoyl]phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[[4-[3-(diethylamino)propanoyl]-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[[4-[3-(diethylamino)-1-oxopropyl]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[[4-[3-(diethylamino)propanoyl]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[[4-[3-(diethylamino)propanoyl]-N-propargyl-anilino]methyl]-1H-quinazolin-4-one Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c1-4-14-30(17-18-7-12-22-21(16-18)24(32)28-25(26)27-22)20-10-8-19(9-11-20)23(31)13-15-29(5-2)6-3/h1,7-12,16H,5-6,13-15,17H2,2-3H3,(H3,26,27,28,32)