2-[[3-(hydroxymethyl)-4-methyl-phenyl]amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[[3-(hydroxymethyl)-4-methyl-phenyl]amino]-3,7-dihydropurin-6-one Openeye Name: 2-[3-(hydroxymethyl)-4-methyl-anilino]-3,7-dihydropurin-6-one CAS Name: 2-[3-(hydroxymethyl)-4-methylanilino]-3,7-dihydropurin-6-one IUPAC Name: 2-[3-(hydroxymethyl)-4-methylanilino]-3,7-dihydropurin-6-one Traditional Name: 2-(4-methyl-3-methylol-anilino)-3,7-dihydropurin-6-one Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)CO

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)CO

InChI

InChI=1S/C13H13N5O2/c1-7-2-3-9(4-8(7)5-19)16-13-17-11-10(12(20)18-13)14-6-15-11/h2-4,6,19H,5H2,1H3,(H3,14,15,16,17,18,20)