6-azanyl-2-ethoxy-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-ethoxy-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-ethoxy-9-[[4-(1-piperidylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-ethoxy-9-[[4-(1-piperidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-ethoxy-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-ethoxy-9-[4-(piperidinomethyl)benzyl]-7H-purin-8-one Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C20H26N6O2/c1-2-28-19-23-17(21)16-18(24-19)26(20(27)22-16)13-15-8-6-14(7-9-15)12-25-10-4-3-5-11-25/h6-9H,2-5,10-13H2,1H3,(H,22,27)(H2,21,23,24)