4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-[(5-ethyl-2-thienyl)sulfonyl]piperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-[(5-ethyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-[(5-ethyl-2-thienyl)sulfonyl]piperazino]-6-pyrrolidino-pyrimidine Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C18H25N5O2S2/c1-2-15-5-6-18(26-15)27(24,25)23-11-9-22(10-12-23)17-13-16(19-14-20-17)21-7-3-4-8-21/h5-6,13-14H,2-4,7-12H2,1H3