2-azanyl-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-1-ol

Systemtic Name: 2-azanyl-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-1-ol Openeye Name: 2-amino-4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]but-3-yn-1-ol CAS Name: 2-amino-4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-3-butyn-1-ol IUPAC Name: 2-amino-4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-1-ol Traditional Name: 2-amino-4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]but-3-yn-1-ol Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(CO)N)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(CO)N)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2/c1-17-13-20(10-12-24(17)31-21-5-3-2-4-6-21)29-25-22-14-18(7-9-19(26)15-30)8-11-23(22)27-16-28-25/h2-6,8,10-14,16,19,30H,15,26H2,1H3,(H,27,28,29)