2-azanyl-9-[2-[2-(hydroxymethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-[2-(hydroxymethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[2-(hydroxymethyl)piperazin-1-yl]-2-oxo-ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-[2-(hydroxymethyl)-1-piperazinyl]-2-oxoethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-[2-(hydroxymethyl)piperazin-1-yl]-2-oxoethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-keto-2-(2-methylolpiperazino)ethyl]-3H-purin-6-one Formula: C12H17N7O3 MolecularWeight: 307.30848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CO)C(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CN(C(CN1)CO)C(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H17N7O3/c13-12-16-10-9(11(22)17-12)15-6-18(10)4-8(21)19-2-1-14-3-7(19)5-20/h6-7,14,20H,1-5H2,(H3,13,16,17,22)