1,3-dimethyl-7-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C21H23N7O3S/c1-13-5-4-6-14-16(13)23-20(32-14)27-9-7-26(8-10-27)15(29)11-28-12-22-18-17(28)19(30)25(3)21(31)24(18)2/h4-6,12H,7-11H2,1-3H3