2-azanyl-9-[3-(hydroxymethyl)cyclopent-3-en-1-yl]-3H-purin-6-one hydrate

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)cyclopent-3-en-1-yl]-3H-purin-6-one hydrate Openeye Name: 2-amino-9-[3-(hydroxymethyl)cyclopent-3-en-1-yl]-3H-purin-6-one hydrate CAS Name: 2-amino-9-[3-(hydroxymethyl)-1-cyclopent-3-enyl]-3H-purin-6-one hydrate IUPAC Name: 2-amino-9-[3-(hydroxymethyl)cyclopent-3-en-1-yl]-3H-purin-6-one hydrate Traditional Name: 2-amino-9-(3-methylolcyclopent-3-en-1-yl)-3H-purin-6-one hydrate Formula: C11H15N5O3 MolecularWeight: 265.2685

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC1N2C=NC3=C2NC(=NC3=O)N)CO.O

Isomeric SMILES

C1C=C(CC1N2C=NC3=C2NC(=NC3=O)N)CO.O

InChI

InChI=1S/C11H13N5O2.H2O/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17;/h1,5,7,17H,2-4H2,(H3,12,14,15,18);1H2