6-azanyl-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]acetyl]pyrimidine-2,4-quinone Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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