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7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione

7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name:7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:7-but-2-ynyl-1,3-bis(2-ethoxyethyl)-8-piperazino-xanthine
Formula: C21H32N6O4
MolecularWeight: 432.51658
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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)CCOCC)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)CCOCC)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C21H32N6O4/c1-4-7-10-25-17-18(23-20(25)24-11-8-22-9-12-24)26(13-15-30-5-2)21(29)27(19(17)28)14-16-31-6-3/h22H,5-6,8-16H2,1-3H3


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