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

Systemtic Name: N-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanamide Openeye Name: N-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)propanamide CAS Name: N-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]propanamide IUPAC Name: N-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanamide Traditional Name: N-(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:

CCC(=O)NN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCC(=O)NN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C17H23N7O3/c1-4-6-9-23-13-14(19-16(23)22-10-7-18-8-11-22)24(20-12(25)5-2)17(27)21(3)15(13)26/h18H,5,7-11H2,1-3H3,(H,20,25)