2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(5-chloranylpyridin-2-yl)ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-N-(5-chloro-2-pyridyl)acetamide Formula: C16H21ClN6O3 MolecularWeight: 380.82934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=NC=C(C=C2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=NC=C(C=C2)Cl)N

InChI

InChI=1S/C16H21ClN6O3/c1-3-4-7-23-14(18)13(15(25)21-16(23)26)22(2)9-12(24)20-11-6-5-10(17)8-19-11/h5-6,8H,3-4,7,9,18H2,1-2H3,(H,19,20,24)(H,21,25,26)