ethyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoate

Systemtic Name: ethyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoate Openeye Name: ethyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]butanoate CAS Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]butanoate Traditional Name: 4-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]butyric acid ethyl ester Formula: C21H32N6O4 MolecularWeight: 432.51658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C21H32N6O4/c1-5-31-16(28)7-6-11-27-19(29)17-18(24(4)21(27)30)23-20(25-13-9-22-10-14-25)26(17)12-8-15(2)3/h8,22H,5-7,9-14H2,1-4H3