3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]indol-2-one

Systemtic Name: 3-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]indol-2-one Openeye Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]indol-2-one CAS Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-2-indolone IUPAC Name: 3-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]indol-2-one Traditional Name: 3-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]amino]indol-2-one Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC3=C4C=CC=CC4=NC3=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C22H21N5O4/c1-29-16-9-12(10-17(30-2)19(16)31-3)8-13-11-24-22(27-20(13)23)26-18-14-6-4-5-7-15(14)25-21(18)28/h4-7,9-11H,8H2,1-3H3,(H3,23,24,25,26,27,28)