1-butan-2-yl-3-[3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-ynyl]urea

Systemtic Name: 1-butan-2-yl-3-[3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-ynyl]urea Openeye Name: 1-[3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-ynyl]urea IUPAC Name: 1-butan-2-yl-3-[3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-ynyl]urea Traditional Name: 1-[3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]-3-sec-butyl-urea Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=C(C=C4)C)C

Isomeric SMILES

CCC(C)NC(=O)NCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=C(C=C4)C)C

InChI

InChI=1S/C29H30N6O2/c1-5-20(3)34-29(36)30-14-6-7-22-9-12-26-25(16-22)28(33-18-32-26)35-23-10-13-27(19(2)15-23)37-24-11-8-21(4)31-17-24/h8-13,15-18,20H,5,14H2,1-4H3,(H2,30,34,36)(H,32,33,35)