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

Systemtic Name: 1-(2-chloroethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(2-chloroethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-chloroethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(2-chloroethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-chloroethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C17H25ClN6O2 MolecularWeight: 380.8724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCCl)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCCl)C)C

InChI

InChI=1S/C17H25ClN6O2/c1-12(2)4-8-23-13-14(20-16(23)22-10-6-19-7-11-22)21(3)17(26)24(9-5-18)15(13)25/h4,19H,5-11H2,1-3H3