3-methyl-8-piperazin-4-ium-1-yl-1,7-dipropyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-piperazin-4-ium-1-yl-1,7-dipropyl-purine-2,6-dione Openeye Name: 3-methyl-8-piperazin-4-ium-1-yl-1,7-dipropyl-purine-2,6-dione CAS Name: 3-methyl-8-(1-piperazin-4-iumyl)-1,7-dipropylpurine-2,6-dione IUPAC Name: 3-methyl-8-piperazin-4-ium-1-yl-1,7-dipropylpurine-2,6-dione Traditional Name: 3-methyl-8-piperazin-4-ium-1-yl-1,7-dipropyl-xanthine Formula: C16H27N6O2+ MolecularWeight: 335.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)CCC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)CCC)C

InChI

InChI=1S/C16H26N6O2/c1-4-8-21-12-13(18-15(21)20-10-6-17-7-11-20)19(3)16(24)22(9-5-2)14(12)23/h17H,4-11H2,1-3H3/p+1