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

Systemtic Name: 7-[3-(4-butanoyl-1,4-diazepan-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-butanoyl-1,4-diazepan-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(1-oxobutyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione IUPAC Name: 7-[3-(4-butanoyl-1,4-diazepan-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-butyryl-1,4-diazepan-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C19H30N6O3 MolecularWeight: 390.4799

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)N1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H30N6O3/c1-4-7-15(26)24-10-5-8-23(12-13-24)9-6-11-25-14-20-17-16(25)18(27)22(3)19(28)21(17)2/h14H,4-13H2,1-3H3