7-(3-azanylpropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 7-(3-azanylpropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 7-(3-aminopropyl)-1,3-dimethyl-8-(3-pyridylmethyl)purine-2,6-dione CAS Name: 7-(3-aminopropyl)-1,3-dimethyl-8-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 7-(3-aminopropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 7-(3-aminopropyl)-1,3-dimethyl-8-(3-pyridylmethyl)xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCCN

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCCN

InChI

InChI=1S/C16H20N6O2/c1-20-14-13(15(23)21(2)16(20)24)22(8-4-6-17)12(19-14)9-11-5-3-7-18-10-11/h3,5,7,10H,4,6,8-9,17H2,1-2H3