2-[8-azanyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[8-azanyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylethanoic acid Openeye Name: 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid CAS Name: 2-[[8-amino-1-(1H-indol-2-yl)-3-imidazo[1,5-a]pyrazinyl]thio]acetic acid IUPAC Name: 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid Traditional Name: 2-[[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]thio]acetic acid Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C3=C4C(=NC=CN4C(=N3)SCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C3=C4C(=NC=CN4C(=N3)SCC(=O)O)N

InChI

InChI=1S/C16H13N5O2S/c17-15-14-13(11-7-9-3-1-2-4-10(9)19-11)20-16(24-8-12(22)23)21(14)6-5-18-15/h1-7,19H,8H2,(H2,17,18)(H,22,23)