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

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

Systemtic Name:7-but-2-ynyl-3-(cyclopropylmethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione
Openeye Name:7-but-2-ynyl-3-(cyclopropylmethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione
CAS Name:7-but-2-ynyl-3-(cyclopropylmethyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione
IUPAC Name:7-but-2-ynyl-3-(cyclopropylmethyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione
Traditional Name:7-but-2-ynyl-3-(cyclopropylmethyl)-1-methyl-8-piperazino-xanthine
Formula: C18H24N6O2
MolecularWeight: 356.42216
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CC4


Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CC4


InChI

InChI=1S/C18H24N6O2/c1-3-4-9-23-14-15(20-17(23)22-10-7-19-8-11-22)24(12-13-5-6-13)18(26)21(2)16(14)25/h13,19H,5-12H2,1-2H3


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