6-azanyl-2-butoxy-9-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[(6-pyrrolidino-3-pyridyl)methyl]-7H-purin-8-one Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C19H25N7O2/c1-2-3-10-28-18-23-16(20)15-17(24-18)26(19(27)22-15)12-13-6-7-14(21-11-13)25-8-4-5-9-25/h6-7,11H,2-5,8-10,12H2,1H3,(H,22,27)(H2,20,23,24)