4,6-bis(azanyl)-5-[1,2-bis-(4-methylphenyl)sulfonylethyl]-5H-pyrimidine-2-thione

Systemtic Name: 4,6-bis(azanyl)-5-[1,2-bis-(4-methylphenyl)sulfonylethyl]-5H-pyrimidine-2-thione Openeye Name: 4,6-diamino-5-[1,2-bis(p-tolylsulfonyl)ethyl]-5H-pyrimidine-2-thione CAS Name: 4,6-diamino-5-[1,2-bis-(4-methylphenyl)sulfonylethyl]-5H-pyrimidine-2-thione IUPAC Name: 4,6-diamino-5-[1,2-bis-(4-methylphenyl)sulfonylethyl]-5H-pyrimidine-2-thione Traditional Name: 4,6-diamino-5-(1,2-ditosylethyl)-5H-pyrimidine-2-thione Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NC(=S)N=C2N)N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NC(=S)N=C2N)N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4O4S3/c1-12-3-7-14(8-4-12)30(25,26)11-16(17-18(21)23-20(29)24-19(17)22)31(27,28)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3,(H4,21,22,23,24,29)