2-azanyl-7-(1-phenyl-2-prop-2-enoxy-ethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-7-(1-phenyl-2-prop-2-enoxy-ethyl)-3H-purin-6-one Openeye Name: 7-(2-allyloxy-1-phenyl-ethyl)-2-amino-3H-purin-6-one CAS Name: 2-amino-7-(1-phenyl-2-prop-2-enoxyethyl)-3H-purin-6-one IUPAC Name: 2-amino-7-(1-phenyl-2-prop-2-enoxyethyl)-3H-purin-6-one Traditional Name: 7-(2-allyloxy-1-phenyl-ethyl)-2-amino-3H-purin-6-one Formula: C16H17N5O2 MolecularWeight: 311.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C=CCOCC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C16H17N5O2/c1-2-8-23-9-12(11-6-4-3-5-7-11)21-10-18-14-13(21)15(22)20-16(17)19-14/h2-7,10,12H,1,8-9H2,(H3,17,19,20,22)