3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(3-thienyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(3-thiophenyl)ethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxo-2-thiophen-3-ylethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-keto-2-(3-thienyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CSC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CSC=C4)C)C

InChI

InChI=1S/C21H26N6O3S/c1-14(2)4-8-26-17-18(23-20(26)25-9-6-22-7-10-25)24(3)21(30)27(19(17)29)12-16(28)15-5-11-31-13-15/h4-5,11,13,22H,6-10,12H2,1-3H3