N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-6-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-6-chloranyl-pyridine-3-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-6-chloro-pyridine-3-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-6-chloro-3-pyridinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-chloropyridine-3-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-6-chloro-nicotinamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O3/c1-2-3-11-26(20(29)15-9-10-16(22)24-12-15)17-18(23)27(21(30)25-19(17)28)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13,23H2,1H3,(H,25,28,30)