2-[7-butan-2-yl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanoic acid

Systemtic Name: 2-[7-butan-2-yl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanoic acid Openeye Name: 2-(1-methyl-2,6-dioxo-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)propanoic acid CAS Name: 2-[7-butan-2-yl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]propanoic acid IUPAC Name: 2-(7-butan-2-yl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanoic acid Traditional Name: 2-(2,6-diketo-1-methyl-8-piperazino-7-sec-butyl-purin-3-yl)propionic acid Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)O

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)O

InChI

InChI=1S/C17H26N6O4/c1-5-10(2)22-12-13(19-16(22)21-8-6-18-7-9-21)23(11(3)15(25)26)17(27)20(4)14(12)24/h10-11,18H,5-9H2,1-4H3,(H,25,26)