3-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylamino]propane-1,2-diol

Systemtic Name: 3-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylamino]propane-1,2-diol Openeye Name: 3-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynylamino]propane-1,2-diol CAS Name: 3-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynylamino]propane-1,2-diol IUPAC Name: 3-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynylamino]propane-1,2-diol Traditional Name: 3-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynylamino]propane-1,2-diol Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-19-14-21(10-12-26(19)34-23-7-3-2-4-8-23)31-27-24-15-20(9-11-25(24)29-18-30-27)6-5-13-28-16-22(33)17-32/h2-4,7-12,14-15,18,22,28,32-33H,13,16-17H2,1H3,(H,29,30,31)