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2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanamide

2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanamide

Systemtic Name:2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanamide
Openeye Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)acetamide
CAS Name:2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetamide
IUPAC Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetamide
Traditional Name:2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)acetamide
Formula: C16H21N7O3
MolecularWeight: 359.38304
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)N


Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)N


InChI

InChI=1S/C16H21N7O3/c1-3-4-7-22-12-13(19-15(22)21-8-5-18-6-9-21)23(10-11(17)24)16(26)20(2)14(12)25/h18H,5-10H2,1-2H3,(H2,17,24)


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