6-[(2-oxidanyl-2-phenyl-ethyl)amino]-3-propyl-7H-purin-2-one

Systemtic Name: 6-[(2-oxidanyl-2-phenyl-ethyl)amino]-3-propyl-7H-purin-2-one Openeye Name: 6-[(2-hydroxy-2-phenyl-ethyl)amino]-3-propyl-7H-purin-2-one CAS Name: 6-[(2-hydroxy-2-phenylethyl)amino]-3-propyl-7H-purin-2-one IUPAC Name: 6-[(2-hydroxy-2-phenylethyl)amino]-3-propyl-7H-purin-2-one Traditional Name: 6-[(2-hydroxy-2-phenyl-ethyl)amino]-3-propyl-7H-purin-2-one Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)NCC(C3=CC=CC=C3)O)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)NCC(C3=CC=CC=C3)O)NC=N2

InChI

InChI=1S/C16H19N5O2/c1-2-8-21-15-13(18-10-19-15)14(20-16(21)23)17-9-12(22)11-6-4-3-5-7-11/h3-7,10,12,22H,2,8-9H2,1H3,(H,18,19)(H,17,20,23)