1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)-1-piperidyl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)-1-piperidinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[4-(7-methyl-1H-indol-3-yl)piperidino]propyl]xanthine Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2C3CCN(CC3)CCCN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC1=CC=CC2=C1NC=C2C3CCN(CC3)CCCN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C24H30N6O2/c1-16-6-4-7-18-19(14-25-20(16)18)17-8-12-29(13-9-17)10-5-11-30-15-26-22-21(30)23(31)28(3)24(32)27(22)2/h4,6-7,14-15,17,25H,5,8-13H2,1-3H3