6-[4-[(6-chloranylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[(6-chloranylpyridin-3-yl)methyl]-1,4-diazepan-1-yl]-3-methyl-1H-pyrimidine-2,4-dione Openeye Name: 6-[4-[(6-chloro-3-pyridyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1H-pyrimidine-2,4-dione CAS Name: 6-[4-[(6-chloro-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1H-pyrimidine-2,4-dione IUPAC Name: 6-[4-[(6-chloropyridin-3-yl)methyl]-1,4-diazepan-1-yl]-3-methyl-1H-pyrimidine-2,4-dione Traditional Name: 6-[4-[(6-chloro-3-pyridyl)methyl]-1,4-diazepan-1-yl]-3-methyl-uracil Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-20-15(23)9-14(19-16(20)24)22-6-2-5-21(7-8-22)11-12-3-4-13(17)18-10-12/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,24)