N-[4-[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[7-[3-(dimethylamino)propoxy]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]acetamide Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)OCCCN(C)C)SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)OCCCN(C)C)SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H29N7O2S/c1-16-14-23(31-30-16)28-24-21-11-8-19(34-13-5-12-32(3)4)15-22(21)27-25(29-24)35-20-9-6-18(7-10-20)26-17(2)33/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,33)(H2,27,28,29,30,31)