6-azanyl-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetyl]pyrimidine-2,4-quinone Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C21H27N5O5S/c1-13-3-4-14(2)17(11-13)32(30,31)25-9-7-24(8-10-25)12-16(27)18-19(22)26(15-5-6-15)21(29)23-20(18)28/h3-4,11,15H,5-10,12,22H2,1-2H3,(H,23,28,29)