6-azanyl-5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-1-ethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[4-(3-bromophenyl)sulfonylpiperazino]-1-ethyl-pyrimidine-2,4-quinone Formula: C16H20BrN5O4S MolecularWeight: 458.3301

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)N

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)N

InChI

InChI=1S/C16H20BrN5O4S/c1-2-22-14(18)13(15(23)19-16(22)24)20-6-8-21(9-7-20)27(25,26)12-5-3-4-11(17)10-12/h3-5,10H,2,6-9,18H2,1H3,(H,19,23,24)