8-azanyl-1,3-bis(cyclopropylmethyl)-7-(4-methylphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(4-methylphenyl)sulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(p-tolylsulfonyl)purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methylphenyl)sulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methylphenyl)sulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-tosyl-xanthine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C20H23N5O4S/c1-12-2-8-15(9-3-12)30(28,29)25-16-17(22-19(25)21)23(10-13-4-5-13)20(27)24(18(16)26)11-14-6-7-14/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H2,21,22)