1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-4-(2-pyrimidinylamino)-1-butanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-4-(2-pyrimidylamino)butan-1-one Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCCNC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCCNC3=NC=CC=N3

InChI

InChI=1S/C20H26N4O3/c1-26-15-8-9-18(27-2)16(14-15)17-6-4-13-24(17)19(25)7-3-10-21-20-22-11-5-12-23-20/h5,8-9,11-12,14,17H,3-4,6-7,10,13H2,1-2H3,(H,21,22,23)