N-[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-4-chloranyl-benzamide Openeye Name: N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-4-chloro-benzamide CAS Name: N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]-4-chlorobenzamide IUPAC Name: N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-4-chlorobenzamide Traditional Name: N-[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]-4-chloro-benzamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-28-16-9-12(10-17(29-2)18(16)30-3)8-14-11-24-21(25-19(14)23)26-20(27)13-4-6-15(22)7-5-13/h4-7,9-11H,8H2,1-3H3,(H3,23,24,25,26,27)