3-butyl-7-propyl-8-[(pyridin-2-ylmethylamino)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-propyl-8-[(pyridin-2-ylmethylamino)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-[(2-pyridylmethylamino)methyl]purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-[(2-pyridinylmethylamino)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-[(pyridin-2-ylmethylamino)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-[(2-pyridylmethylamino)methyl]xanthine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=N3)CCC

InChI

InChI=1S/C19H26N6O2/c1-3-5-11-25-17-16(18(26)23-19(25)27)24(10-4-2)15(22-17)13-20-12-14-8-6-7-9-21-14/h6-9,20H,3-5,10-13H2,1-2H3,(H,23,26,27)