3-methyl-1-(5-oxidanylhexyl)-8-[(phenylmethyl)amino]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-[(phenylmethyl)amino]-7H-purine-2,6-dione Openeye Name: 8-(benzylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione IUPAC Name: 8-(benzylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(benzylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3)N(C1=O)C)O

InChI

InChI=1S/C19H25N5O3/c1-13(25)8-6-7-11-24-17(26)15-16(23(2)19(24)27)22-18(21-15)20-12-14-9-4-3-5-10-14/h3-5,9-10,13,25H,6-8,11-12H2,1-2H3,(H2,20,21,22)