6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-ethoxy-indole-1-sulfonic acid

Systemtic Name: 6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-ethoxy-indole-1-sulfonic acid Openeye Name: 6-[(2,4-diaminopyrimidin-5-yl)methyl]-4-ethoxy-indole-1-sulfonic acid CAS Name: 6-[(2,4-diamino-5-pyrimidinyl)methyl]-4-ethoxy-1-indolesulfonic acid IUPAC Name: 6-[(2,4-diaminopyrimidin-5-yl)methyl]-4-ethoxyindole-1-sulfonic acid Traditional Name: 6-[(2,4-diaminopyrimidin-5-yl)methyl]-4-ethoxy-indole-1-sulfonic acid Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1C=CN2S(=O)(=O)O)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC2=C1C=CN2S(=O)(=O)O)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C15H17N5O4S/c1-2-24-13-7-9(5-10-8-18-15(17)19-14(10)16)6-12-11(13)3-4-20(12)25(21,22)23/h3-4,6-8H,2,5H2,1H3,(H,21,22,23)(H4,16,17,18,19)