8-[(4-methoxyphenyl)methylamino]-3-methyl-7-pentyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-pentyl-5H-purin-7-ium-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-pentyl-5H-purin-7-ium-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-pentyl-5H-purin-7-ium-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-pentyl-5H-purin-7-ium-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(p-anisylamino)-5H-purin-7-ium-2,6-quinone Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N5O3/c1-4-5-6-11-24-15-16(23(2)19(26)22-17(15)25)21-18(24)20-12-13-7-9-14(27-3)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,25,26)/p+1