1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-[2-[(2S)-piperidin-2-yl]ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-5-yl-urea

Systemtic Name: 1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-[2-[(2S)-piperidin-2-yl]ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-5-yl-urea Openeye Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-[(2S)-2-piperidyl]ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-5-yl-urea CAS Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-[(2S)-2-piperidinyl]ethoxy]-1H-quinolin-6-yl]-3-(5-pyrimidinyl)urea IUPAC Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-5-ylurea Traditional Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-[(2S)-2-piperidyl]ethoxy]-1H-quinolin-6-yl]-3-(5-pyrimidyl)urea Formula: C29H31ClN6O3 MolecularWeight: 547.04784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)NC4=CN=CN=C4)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)NC4=CN=CN=C4)OCC[C@@H]5CCCCN5)C

InChI

InChI=1S/C29H31ClN6O3/c1-17-9-18(2)11-19(10-17)26-27(39-8-6-20-5-3-4-7-33-20)22-12-25(23(30)13-24(22)35-28(26)37)36-29(38)34-21-14-31-16-32-15-21/h9-16,20,33H,3-8H2,1-2H3,(H,35,37)(H2,34,36,38)/t20-/m0/s1