6-azanyl-4-ethynyl-3-(9-methylpurin-8-yl)-2-(1-oxidanylcyclopentyl)phenol hydrochloride

Systemtic Name: 6-azanyl-4-ethynyl-3-(9-methylpurin-8-yl)-2-(1-oxidanylcyclopentyl)phenol hydrochloride Openeye Name: 6-amino-4-ethynyl-2-(1-hydroxycyclopentyl)-3-(9-methylpurin-8-yl)phenol hydrochloride CAS Name: 6-amino-4-ethynyl-2-(1-hydroxycyclopentyl)-3-(9-methyl-8-purinyl)phenol hydrochloride IUPAC Name: 6-amino-4-ethynyl-2-(1-hydroxycyclopentyl)-3-(9-methylpurin-8-yl)phenol hydrochloride Traditional Name: 6-amino-4-ethynyl-2-(1-hydroxycyclopentyl)-3-(9-methylpurin-8-yl)phenol hydrochloride Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=NC=C2N=C1C3=C(C(=C(C=C3C#C)N)O)C4(CCCC4)O.Cl

Isomeric SMILES

CN1C2=NC=NC=C2N=C1C3=C(C(=C(C=C3C#C)N)O)C4(CCCC4)O.Cl

InChI

InChI=1S/C19H19N5O2.ClH/c1-3-11-8-12(20)16(25)15(19(26)6-4-5-7-19)14(11)18-23-13-9-21-10-22-17(13)24(18)2;/h1,8-10,25-26H,4-7,20H2,2H3;1H