(4S,5R)-9-naphthalen-1-ylsulfonyl-3,4,5,7-tetrahydropurine-2,6,8-trione

Systemtic Name: (4S,5R)-9-naphthalen-1-ylsulfonyl-3,4,5,7-tetrahydropurine-2,6,8-trione Openeye Name: (4S,5R)-9-(1-naphthylsulfonyl)-3,4,5,7-tetrahydropurine-2,6,8-trione CAS Name: (4S,5R)-9-(1-naphthalenylsulfonyl)-3,4,5,7-tetrahydropurine-2,6,8-trione IUPAC Name: (4S,5R)-9-naphthalen-1-ylsulfonyl-3,4,5,7-tetrahydropurine-2,6,8-trione Traditional Name: (4S,5R)-9-(1-naphthylsulfonyl)-3,4,5,7-tetrahydropurine-2,6,8-trione Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N3C4C(C(=O)NC(=O)N4)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N3[C@H]4[C@H](C(=O)NC(=O)N4)NC3=O

InChI

InChI=1S/C15H12N4O5S/c20-13-11-12(17-14(21)18-13)19(15(22)16-11)25(23,24)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H,16,22)(H2,17,18,20,21)/t11-,12+/m1/s1