8-(3-azanylpropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-7-benzyl-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-7-benzyl-3-methyl-xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O2/c1-21-13-12(14(23)20-16(21)24)22(10-11-6-3-2-4-7-11)15(19-13)18-9-5-8-17/h2-4,6-7H,5,8-10,17H2,1H3,(H,18,19)(H,20,23,24)