7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-(7H-purin-8-ylamino)-1H-quinolin-2-one

Systemtic Name: 7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-(7H-purin-8-ylamino)-1H-quinolin-2-one Openeye Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-(7H-purin-8-ylamino)-1H-quinolin-2-one CAS Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidinyl)ethoxy]-6-(7H-purin-8-ylamino)-1H-quinolin-2-one IUPAC Name: 7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-(7H-purin-8-ylamino)-1H-quinolin-2-one Traditional Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-(7H-purin-8-ylamino)carbostyril Formula: C29H30ClN7O2 MolecularWeight: 544.0472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC4=NC5=NC=NC=C5N4)OCCC6CCCCN6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC4=NC5=NC=NC=C5N4)OCCC6CCCCN6)C

InChI

InChI=1S/C29H30ClN7O2/c1-16-9-17(2)11-18(10-16)25-26(39-8-6-19-5-3-4-7-32-19)20-12-23(21(30)13-22(20)34-28(25)38)35-29-36-24-14-31-15-33-27(24)37-29/h9-15,19,32H,3-8H2,1-2H3,(H,34,38)(H2,31,33,35,36,37)