4-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C20H26BrN5O3S MolecularWeight: 496.42114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C20H26BrN5O3S/c1-2-29-17-6-5-16(21)13-18(17)30(27,28)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-4-8-24/h5-6,13-15H,2-4,7-12H2,1H3