3-azanyl-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-piperazin-1-yl-7-propyl-purine-2,6-dione

Systemtic Name: 3-azanyl-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-piperazin-1-yl-7-propyl-purine-2,6-dione Openeye Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-piperazin-1-yl-7-propyl-purine-2,6-dione CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-(1-piperazinyl)-7-propylpurine-2,6-dione IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-piperazin-1-yl-7-propylpurine-2,6-dione Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid; 3-methyl-8-piperazino-7-propyl-xanthine Formula: C16H24N10O4 MolecularWeight: 420.42636

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C.C1(=NC(=NN1)N)C(=O)O

Isomeric SMILES

CCCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C.C1(=NC(=NN1)N)C(=O)O

InChI

InChI=1S/C13H20N6O2.C3H4N4O2/c1-3-6-19-9-10(17(2)13(21)16-11(9)20)15-12(19)18-7-4-14-5-8-18;4-3-5-1(2(8)9)6-7-3/h14H,3-8H2,1-2H3,(H,16,20,21);(H,8,9)(H3,4,5,6,7)