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

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-(4-tosylpiperazino)acetyl]pyrimidine-2,4-quinone Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5S/c1-13-2-6-15(7-3-13)31(29,30)24-10-8-23(9-11-24)12-16(26)17-18(21)25(14-4-5-14)20(28)22-19(17)27/h2-3,6-7,14H,4-5,8-12,21H2,1H3,(H,22,27,28)