7-methyl-6-(1-oxidanylbutan-2-ylamino)-3-propyl-purin-2-one

Systemtic Name: 7-methyl-6-(1-oxidanylbutan-2-ylamino)-3-propyl-purin-2-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-7-methyl-3-propyl-purin-2-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-7-methyl-3-propyl-2-purinone IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-7-methyl-3-propylpurin-2-one Traditional Name: 7-methyl-6-(1-methylolpropylamino)-3-propyl-purin-2-one Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)NC(CC)CO)N(C=N2)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)NC(CC)CO)N(C=N2)C

InChI

InChI=1S/C13H21N5O2/c1-4-6-18-12-10(17(3)8-14-12)11(16-13(18)20)15-9(5-2)7-19/h8-9,19H,4-7H2,1-3H3,(H,15,16,20)