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1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione

1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione

Systemtic Name:1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione
Openeye Name:1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione
CAS Name:1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione
IUPAC Name:1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione
Traditional Name:1,3-dimethyl-7-[3-[4-(1-phenylethyl)-1,4-diazepan-1-yl]propyl]xanthine
Formula: C23H32N6O2
MolecularWeight: 424.53918
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCCN(CC2)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C


Isomeric SMILES

CC(C1=CC=CC=C1)N2CCCN(CC2)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C


InChI

InChI=1S/C23H32N6O2/c1-18(19-9-5-4-6-10-19)28-13-7-11-27(15-16-28)12-8-14-29-17-24-21-20(29)22(30)26(3)23(31)25(21)2/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3


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