3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-ynylcarbamic acid

Systemtic Name: 3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-ynylcarbamic acid Openeye Name: 3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]prop-2-ynylcarbamic acid CAS Name: 3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-ynylcarbamic acid IUPAC Name: 3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-ynylcarbamic acid Traditional Name: 3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]prop-2-ynylcarbamic acid Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCNC(=O)O)C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCNC(=O)O)C

InChI

InChI=1S/C25H21N5O3/c1-16-12-19(7-10-23(16)33-20-8-5-17(2)27-14-20)30-24-21-13-18(4-3-11-26-25(31)32)6-9-22(21)28-15-29-24/h5-10,12-15,26H,11H2,1-2H3,(H,31,32)(H,28,29,30)