2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-4-methyl-6-pyrrolidino-pyrimidine Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N4CCCC4

InChI

InChI=1S/C21H29N5O4S/c1-16-14-20(24-8-4-5-9-24)23-21(22-16)25-10-12-26(13-11-25)31(27,28)17-6-7-18(29-2)19(15-17)30-3/h6-7,14-15H,4-5,8-13H2,1-3H3