ethyl 4-[(6-azanyl-9-ethyl-8-pyrazol-1-yl-purin-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(6-azanyl-9-ethyl-8-pyrazol-1-yl-purin-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-amino-9-ethyl-8-pyrazol-1-yl-purin-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[[6-amino-9-ethyl-8-(1-pyrazolyl)-2-purinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-amino-9-ethyl-8-pyrazol-1-ylpurin-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-amino-9-ethyl-8-pyrazol-1-yl-purin-2-yl)amino]-4-keto-butyric acid ethyl ester Formula: C16H20N8O3 MolecularWeight: 372.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NC(=O)CCC(=O)OCC)N)N=C1N3C=CC=N3

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NC(=O)CCC(=O)OCC)N)N=C1N3C=CC=N3

InChI

InChI=1S/C16H20N8O3/c1-3-23-14-12(20-16(23)24-9-5-8-18-24)13(17)21-15(22-14)19-10(25)6-7-11(26)27-4-2/h5,8-9H,3-4,6-7H2,1-2H3,(H3,17,19,21,22,25)