4-[5-azanyl-2-(2-hydroxyethyl)-6-propyl-pyrimidin-4-yl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide

Systemtic Name: 4-[5-azanyl-2-(2-hydroxyethyl)-6-propyl-pyrimidin-4-yl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide Openeye Name: 4-[5-amino-2-(2-hydroxyethyl)-6-propyl-pyrimidin-4-yl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide CAS Name: 4-[5-amino-2-(2-hydroxyethyl)-6-propyl-4-pyrimidinyl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide IUPAC Name: 4-[5-amino-2-(2-hydroxyethyl)-6-propylpyrimidin-4-yl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide Traditional Name: 4-[5-amino-2-(2-hydroxyethyl)-6-propyl-pyrimidin-4-yl]-N-[2-(3-cyano-1H-indol-5-yl)ethyl]benzamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1N)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N)CCO

Isomeric SMILES

CCCC1=NC(=NC(=C1N)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N)CCO

InChI

InChI=1S/C27H28N6O2/c1-2-3-23-25(29)26(33-24(32-23)11-13-34)18-5-7-19(8-6-18)27(35)30-12-10-17-4-9-22-21(14-17)20(15-28)16-31-22/h4-9,14,16,31,34H,2-3,10-13,29H2,1H3,(H,30,35)