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

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

Systemtic Name:2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanamide
Openeye Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)propanamide
CAS Name:2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]propanamide
IUPAC Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanamide
Traditional Name:2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)propionamide
Formula: C17H23N7O3
MolecularWeight: 373.40962
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H23N7O3/c1-4-5-8-23-12-14(20-16(23)22-9-6-19-7-10-22)24(11(2)13(18)25)17(27)21(3)15(12)26/h11,19H,6-10H2,1-3H3,(H2,18,25)


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