8-azanyl-1,3-bis(cyclopropylmethyl)-7-propan-2-ylsulfonyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-propan-2-ylsulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-isopropylsulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-propan-2-ylsulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-propan-2-ylsulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-isopropylsulfonyl-xanthine Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(N=C1N)N(C(=O)N(C2=O)CC3CC3)CC4CC4

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(N=C1N)N(C(=O)N(C2=O)CC3CC3)CC4CC4

InChI

InChI=1S/C16H23N5O4S/c1-9(2)26(24,25)21-12-13(18-15(21)17)19(7-10-3-4-10)16(23)20(14(12)22)8-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,17,18)