1-[3,3-dimethyl-6-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2H-indol-1-yl]ethanone

Systemtic Name: 1-[3,3-dimethyl-6-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2H-indol-1-yl]ethanone Openeye Name: 1-[3,3-dimethyl-6-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]indolin-1-yl]ethanone CAS Name: 1-[3,3-dimethyl-6-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]-2H-indol-1-yl]ethanone IUPAC Name: 1-[3,3-dimethyl-6-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2H-indol-1-yl]ethanone Traditional Name: 1-[3,3-dimethyl-6-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]indolin-1-yl]ethanone Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C2=C1C=C(C=C2)NC3=NC=CC(=N3)NC4=CC5=CC=CC=C5N=C4)(C)C

Isomeric SMILES

CC(=O)N1CC(C2=C1C=C(C=C2)NC3=NC=CC(=N3)NC4=CC5=CC=CC=C5N=C4)(C)C

InChI

InChI=1S/C25H24N6O/c1-16(32)31-15-25(2,3)20-9-8-18(13-22(20)31)29-24-26-11-10-23(30-24)28-19-12-17-6-4-5-7-21(17)27-14-19/h4-14H,15H2,1-3H3,(H2,26,28,29,30)