3-[2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[2-methoxy-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[2-methoxy-4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[2-methoxy-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]-1-pyrrolidino-propan-1-one Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)CCC(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)CCC(=O)N5CCCC5

InChI

InChI=1S/C27H28N6O2/c1-35-24-17-21(10-8-19(24)9-11-26(34)33-14-4-5-15-33)31-27-28-13-12-25(32-27)30-22-16-20-6-2-3-7-23(20)29-18-22/h2-3,6-8,10,12-13,16-18H,4-5,9,11,14-15H2,1H3,(H2,28,30,31,32)