3-methyl-8-(4-nitrosopiperazin-1-yl)-1,7-dipropyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-nitrosopiperazin-1-yl)-1,7-dipropyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-nitrosopiperazin-1-yl)-1,7-dipropyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-nitroso-1-piperazinyl)-1,7-dipropylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-nitrosopiperazin-1-yl)-1,7-dipropylpurine-2,6-dione Traditional Name: 3-methyl-8-(4-nitrosopiperazino)-1,7-dipropyl-xanthine Formula: C16H25N7O3 MolecularWeight: 363.4148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)N=O)N(C(=O)N(C2=O)CCC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)N=O)N(C(=O)N(C2=O)CCC)C

InChI

InChI=1S/C16H25N7O3/c1-4-6-22-12-13(19(3)16(25)23(7-5-2)14(12)24)17-15(22)20-8-10-21(18-26)11-9-20/h4-11H2,1-3H3